N-[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl]isonipecotamide Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H25N3O4S/c1-13(17(22)20-15-7-8-15)19-18(23)14-9-11-21(12-10-14)26(24,25)16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H,19,23)(H,20,22)/t13-/m0/s1