[4-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(4-methylphenyl)carbonyl-amino]naphthalen-1-yl] 4-methylbenzoate

Systemtic Name: [4-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(4-methylphenyl)carbonyl-amino]naphthalen-1-yl] 4-methylbenzoate Openeye Name: [4-[(4-chloro-3-nitro-phenyl)sulfonyl-(4-methylbenzoyl)amino]-1-naphthyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(4-chloro-3-nitrophenyl)sulfonyl-[(4-methylphenyl)-oxomethyl]amino]-1-naphthalenyl] ester IUPAC Name: [4-[(4-chloro-3-nitrophenyl)sulfonyl-(4-methylbenzoyl)amino]naphthalen-1-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(4-chloro-3-nitro-phenyl)sulfonyl-p-toluoyl-amino]-1-naphthyl] ester Formula: C32H23ClN2O7S MolecularWeight: 615.05222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C32H23ClN2O7S/c1-20-7-11-22(12-8-20)31(36)34(43(40,41)24-15-16-27(33)29(19-24)35(38)39)28-17-18-30(26-6-4-3-5-25(26)28)42-32(37)23-13-9-21(2)10-14-23/h3-19H,1-2H3