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

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(1S)-3-methylsulfanyl-1-(thiazol-2-ylcarbamoyl)propyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(2S)-4-(methylthio)-1-oxo-1-(2-thiazolylamino)butan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[(1S)-3-(methylthio)-1-(thiazol-2-ylcarbamoyl)propyl]isonipecotamide Formula: C20H26N4O4S3 MolecularWeight: 482.63984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S3/c1-29-13-9-17(19(26)23-20-21-10-14-30-20)22-18(25)15-7-11-24(12-8-15)31(27,28)16-5-3-2-4-6-16/h2-6,10,14-15,17H,7-9,11-13H2,1H3,(H,22,25)(H,21,23,26)/t17-/m0/s1