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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 2-[methyl(phenyl)sulfamoyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 2-[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=C2C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCCCCC3

InChI

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