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

Systemtic Name: N-[(2S)-1-[4-(diphenylmethyl)piperazin-1-yl]-3-(3-nitrophenyl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(4-benzhydrylpiperazin-1-yl)-1-[(3-nitrophenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-1-[4-(diphenylmethyl)-1-piperazinyl]-3-[(3-nitrophenyl)thio]-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(3-nitrophenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(4-benzhydrylpiperazino)-2-keto-1-[[(3-nitrophenyl)thio]methyl]ethyl]acetamide Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4O4S/c1-21(33)29-26(20-37-25-14-8-13-24(19-25)32(35)36)28(34)31-17-15-30(16-18-31)27(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,19,26-27H,15-18,20H2,1H3,(H,29,33)/t26-/m1/s1