[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-(benzylsulfamoyl)-4-chloro-benzoate CAS Name: 4-chloro-3-[(phenylmethyl)sulfamoyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(benzylsulfamoyl)-4-chloro-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O5S/c23-19-11-10-18(22(27)30-16-21(26)25-12-6-1-2-7-13-25)14-20(19)31(28,29)24-15-17-8-4-3-5-9-17/h3-5,8-11,14,24H,1-2,6-7,12-13,15-16H2