[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-[methoxy(methyl)sulfamoyl]benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-[methoxy(methyl)sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-[methoxy(methyl)sulfamoyl]benzoate CAS Name: 3-[methoxy(methyl)sulfamoyl]benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3-[methoxy(methyl)sulfamoyl]benzoate Traditional Name: 3-[methoxy(methyl)sulfamoyl]benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)OC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)OC

InChI

InChI=1S/C18H26N2O6S/c1-14(17(21)20-11-6-4-5-7-12-20)26-18(22)15-9-8-10-16(13-15)27(23,24)19(2)25-3/h8-10,13-14H,4-7,11-12H2,1-3H3