[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[(2-methoxyphenyl)sulfamoyl]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[(2-methoxyphenyl)sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-[(2-methoxyphenyl)sulfamoyl]benzoate CAS Name: 4-[(2-methoxyphenyl)sulfamoyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-[(2-methoxyphenyl)sulfamoyl]benzoate Traditional Name: 4-[(2-methoxyphenyl)sulfamoyl]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C22H26N2O6S/c1-29-20-9-5-4-8-19(20)23-31(27,28)18-12-10-17(11-13-18)22(26)30-16-21(25)24-14-6-2-3-7-15-24/h4-5,8-13,23H,2-3,6-7,14-16H2,1H3