[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoate CAS Name: 3-[(3-chlorophenyl)-methylsulfamoyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate Traditional Name: 3-[(3-chlorophenyl)-methyl-sulfamoyl]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:

CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C22H25ClN2O5S/c1-24(19-10-7-9-18(23)15-19)31(28,29)20-11-6-8-17(14-20)22(27)30-16-21(26)25-12-4-2-3-5-13-25/h6-11,14-15H,2-5,12-13,16H2,1H3