[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(isopropylamino)-1-methyl-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)NC(=O)C(C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C19H28N2O5S/c1-14(2)20-18(22)15(3)26-19(23)16-9-8-10-17(13-16)27(24,25)21-11-6-4-5-7-12-21/h8-10,13-15H,4-7,11-12H2,1-3H3,(H,20,22)