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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-oxidanyl-5-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 5-(benzylsulfamoyl)-2-hydroxy-benzoate CAS Name: 2-hydroxy-5-[(phenylmethyl)sulfamoyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 5-(benzylsulfamoyl)-2-hydroxybenzoate Traditional Name: 5-(benzylsulfamoyl)-2-hydroxy-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:

C1CCCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3)O

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3)O

InChI

InChI=1S/C22H26N2O6S/c25-20-11-10-18(31(28,29)23-15-17-8-4-3-5-9-17)14-19(20)22(27)30-16-21(26)24-12-6-1-2-7-13-24/h3-5,8-11,14,23,25H,1-2,6-7,12-13,15-16H2