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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[methyl(phenyl)sulfamoyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[methyl(phenyl)sulfamoyl]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-23(19-11-5-4-6-12-19)30(27,28)20-13-9-10-18(16-20)22(26)29-17-21(25)24-14-7-2-3-8-15-24/h4-6,9-13,16H,2-3,7-8,14-15,17H2,1H3