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methyl (2E)-3-[(3,4-dimethoxyphenyl)amino]-2-(4-ethoxybenzenesulfonyl)prop-2-enoate

methyl (2E)-3-[(3,4-dimethoxyphenyl)amino]-2-(4-ethoxybenzenesulfonyl)prop-2-enoate

Formula: C20H23NO7S

SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)C(=CNC1=CC=C(OC)C(OC)=C1)C(=O)OC

IUPAC: methyl (2E)-3-[(3,4-dimethoxyphenyl)amino]-2-(4-ethoxybenzenesulfonyl)prop-2-enoate

InChI: InChI=1S/C20H23NO7S/c1-5-28-15-7-9-16(10-8-15)29(23,24)19(20(22)27-4)13-21-14-6-11-17(25-2)18(12-14)26-3/h6-13,21H,5H2,1-4H3/b19-13+

Composition: C (57.00%), H (5.50%), N (3.32%), O (26.57%), S (7.61%)

Molar Mass: 421.46

Atom Count: 52

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 421.119523259
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey YMXYZMHBBSBSBA-CPNJWEJPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 109.69
Topological Polar Surface Area 100.16
Polarizability 42.54
Ring Count 2
Rotatable Bond Count 10

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H23NO7S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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