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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=CO1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC=CO1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O5S2/c1-31-15-11-20(22(27)23-16-18-6-5-14-30-18)24-21(26)17-9-12-25(13-10-17)32(28,29)19-7-3-2-4-8-19/h2-8,14,17,20H,9-13,15-16H2,1H3,(H,23,27)(H,24,26)/t20-/m0/s1