N-[(2S)-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(1S)-1-methyl-2-oxo-2-(thiazol-2-ylamino)ethyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(2-thiazolylamino)propan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[(1S)-2-keto-1-methyl-2-(thiazol-2-ylamino)ethyl]isonipecotamide Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O4S2/c1-13(16(23)21-18-19-9-12-27-18)20-17(24)14-7-10-22(11-8-14)28(25,26)15-5-3-2-4-6-15/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,20,24)(H,19,21,23)/t13-/m0/s1