2-{4-[(4-methylbenzenesulfonyl)oxy]phenyl}-2-oxoethyl 3-(3-nitrobenzamido)benzoate

2-{4-[(4-methylbenzenesulfonyl)oxy]phenyl}-2-oxoethyl 3-(3-nitrobenzamido)benzoate

Formula: C29H22N2O9S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C1)C(=O)COC(=O)C1=CC=CC(NC(=O)C2=CC=CC(=C2)[N+]([O-])=O)=C1

IUPAC: 2-{4-[(4-methylbenzenesulfonyl)oxy]phenyl}-2-oxoethyl 3-(3-nitrobenzamido)benzoate

InChI: InChI=1S/C29H22N2O9S/c1-19-8-14-26(15-9-19)41(37,38)40-25-12-10-20(11-13-25)27(32)18-39-29(34)22-5-2-6-23(16-22)30-28(33)21-4-3-7-24(17-21)31(35)36/h2-17H,18H2,1H3,(H,30,33)

Composition: C (60.62%), H (3.86%), N (4.88%), O (25.06%), S (5.58%)

Molar Mass: 574.56

Atom Count: 63

Heavy Atom Count: 41

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	574.10460147
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	DFSOKOZPPJVMPW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	149.76
Topological Polar Surface Area	158.98
Polarizability	56.94
Ring Count	4
Rotatable Bond Count	11

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H22N2O9S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00