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

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(1S)-3-methyl-1-(thiazol-2-ylcarbamoyl)butyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(2S)-4-methyl-1-oxo-1-(2-thiazolylamino)pentan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[(1S)-3-methyl-1-(thiazol-2-ylcarbamoyl)butyl]isonipecotamide Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S2/c1-15(2)14-18(20(27)24-21-22-10-13-30-21)23-19(26)16-8-11-25(12-9-16)31(28,29)17-6-4-3-5-7-17/h3-7,10,13,15-16,18H,8-9,11-12,14H2,1-2H3,(H,23,26)(H,22,24,27)/t18-/m0/s1