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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 4-chloro-3-[methyl(phenyl)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)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCCCCC3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O5S/c1-24(18-9-5-4-6-10-18)31(28,29)20-15-17(11-12-19(20)23)22(27)30-16-21(26)25-13-7-2-3-8-14-25/h4-6,9-12,15H,2-3,7-8,13-14,16H2,1H3