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4-[(2E)-2-cyano-3-{4-[(4-methoxybenzenesulfonyl)oxy]phenyl}prop-2-enamido]benzoic acid

4-[(2E)-2-cyano-3-{4-[(4-methoxybenzenesulfonyl)oxy]phenyl}prop-2-enamido]benzoic acid

Formula: C24H18N2O7S

SMILES: COC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C(/C#N)C(=O)NC2=CC=C(C=C2)C(O)=O)C=C1

IUPAC: 4-[(2E)-2-cyano-3-{4-[(4-methoxybenzenesulfonyl)oxy]phenyl}prop-2-enamido]benzoic acid

InChI: InChI=1S/C24H18N2O7S/c1-32-20-10-12-22(13-11-20)34(30,31)33-21-8-2-16(3-9-21)14-18(15-25)23(27)26-19-6-4-17(5-7-19)24(28)29/h2-14H,1H3,(H,26,27)(H,28,29)/b18-14+

Composition: C (60.25%), H (3.79%), N (5.85%), O (23.41%), S (6.70%)

Molar Mass: 478.48

Atom Count: 52

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 478.083472102
Formal Charge 0
FSP3 0.04
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 2
InChIKey UFDKRHMWLLFFSZ-NBVRZTHBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 124.99
Topological Polar Surface Area 142.79
Polarizability 47.38
Ring Count 3
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H18N2O7S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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