N-[(2S)-3-(3-nitrophenyl)sulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]ethanamide

Systemtic Name: N-[(2S)-3-(3-nitrophenyl)sulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(4-benzyl-1-piperidyl)-1-[(3-nitrophenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-3-[(3-nitrophenyl)thio]-1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(4-benzylpiperidin-1-yl)-3-(3-nitrophenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(4-benzylpiperidino)-2-keto-1-[[(3-nitrophenyl)thio]methyl]ethyl]acetamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4S/c1-17(27)24-22(16-31-21-9-5-8-20(15-21)26(29)30)23(28)25-12-10-19(11-13-25)14-18-6-3-2-4-7-18/h2-9,15,19,22H,10-14,16H2,1H3,(H,24,27)/t22-/m1/s1