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

Systemtic Name: [2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-(4-benzyloxyanilino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-oxo-2-(4-phenylmethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-(4-benzoxyanilino)-2-keto-ethyl] ester Formula: C28H29ClN2O6S MolecularWeight: 557.05766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C28H29ClN2O6S/c29-25-15-10-22(18-26(25)38(34,35)31-16-6-1-2-7-17-31)28(33)37-20-27(32)30-23-11-13-24(14-12-23)36-19-21-8-4-3-5-9-21/h3-5,8-15,18H,1-2,6-7,16-17,19-20H2,(H,30,32)