[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-[(4-methoxyphenyl)sulfamoyl]-2-oxidanyl-benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-[(4-methoxyphenyl)sulfamoyl]-2-oxidanyl-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate CAS Name: 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate Traditional Name: 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C22H26N2O7S/c1-30-17-8-6-16(7-9-17)23-32(28,29)18-10-11-20(25)19(14-18)22(27)31-15-21(26)24-12-4-2-3-5-13-24/h6-11,14,23,25H,2-5,12-13,15H2,1H3