[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3,4-dimethyl-5-sulfamoyl-benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3,4-dimethyl-5-sulfamoyl-benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3,4-dimethyl-5-sulfamoyl-benzoate CAS Name: 3,4-dimethyl-5-sulfamoylbenzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3,4-dimethyl-5-sulfamoylbenzoate Traditional Name: 3,4-dimethyl-5-sulfamoyl-benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)OC(C)C(=O)N2CCCCCC2)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)OC(C)C(=O)N2CCCCCC2)S(=O)(=O)N)C

InChI

InChI=1S/C18H26N2O5S/c1-12-10-15(11-16(13(12)2)26(19,23)24)18(22)25-14(3)17(21)20-8-6-4-5-7-9-20/h10-11,14H,4-9H2,1-3H3,(H2,19,23,24)