(3S)-N-[(2S)-1-(furan-2-ylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2S)-1-(furan-2-ylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[(1S)-1-(2-furylmethylcarbamoyl)-3-methylsulfanyl-propyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-1-(2-furanylmethylamino)-4-(methylthio)-1-oxobutan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-1-(furan-2-ylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-[(1S)-1-(2-furfurylcarbamoyl)-3-(methylthio)propyl]nipecotamide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=CO1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC=CO1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O5S2/c1-31-14-11-20(22(27)23-15-18-8-6-13-30-18)24-21(26)17-7-5-12-25(16-17)32(28,29)19-9-3-2-4-10-19/h2-4,6,8-10,13,17,20H,5,7,11-12,14-16H2,1H3,(H,23,27)(H,24,26)/t17-,20-/m0/s1