[4-[(4-ethoxyphenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]phenyl] 4-nitrobenzoate

Systemtic Name: [4-[(4-ethoxyphenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]phenyl] 4-nitrobenzoate Openeye Name: [4-[(4-ethoxyphenyl)sulfonyl-(4-nitrobenzoyl)amino]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(4-ethoxyphenyl)sulfonyl-[(4-nitrophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(4-ethoxyphenyl)sulfonyl-(4-nitrobenzoyl)amino]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(4-nitrobenzoyl)-p-phenetylsulfonyl-amino]phenyl] ester Formula: C28H21N3O10S MolecularWeight: 591.54544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H21N3O10S/c1-2-40-24-15-17-26(18-16-24)42(38,39)29(27(32)19-3-7-22(8-4-19)30(34)35)21-11-13-25(14-12-21)41-28(33)20-5-9-23(10-6-20)31(36)37/h3-18H,2H2,1H3