N-(4-methylphenyl)-2-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: 2-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-[4-(3-nitrophenyl)sulfonylpiperazino]ethyl]thio]-N-(p-tolyl)acetamide Formula: C21H24N4O6S2 MolecularWeight: 492.56846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6S2/c1-16-5-7-17(8-6-16)22-20(26)14-32-15-21(27)23-9-11-24(12-10-23)33(30,31)19-4-2-3-18(13-19)25(28)29/h2-8,13H,9-12,14-15H2,1H3,(H,22,26)