methyl 2-[4-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[[2-(isopropylamino)-2-oxo-ethyl]carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[[2-(isopropylamino)-2-keto-ethyl]carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C)NC(=O)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C19H27N3O6S/c1-13(2)21-17(23)12-20-18(24)14-8-10-22(11-9-14)29(26,27)16-7-5-4-6-15(16)19(25)28-3/h4-7,13-14H,8-12H2,1-3H3,(H,20,24)(H,21,23)