[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-(4-ethoxycarbonylanilino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-(4-ethoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-(4-carbethoxyanilino)-2-keto-ethyl] ester Formula: C24H27ClN2O7S MolecularWeight: 522.99838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H27ClN2O7S/c1-2-33-23(29)17-7-10-19(11-8-17)26-22(28)16-34-24(30)18-9-12-20(25)21(15-18)35(31,32)27-13-5-3-4-6-14-27/h7-12,15H,2-6,13-14,16H2,1H3,(H,26,28)