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

Systemtic Name: N-[4-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanylphenyl]acetamide CAS Name: N-[4-[[2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]phenyl]acetamide IUPAC Name: N-[4-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[2-keto-2-[4-(3-nitrophenyl)sulfonylpiperazino]ethyl]thio]phenyl]acetamide Formula: C20H22N4O6S2 MolecularWeight: 478.54188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6S2/c1-15(25)21-16-5-7-18(8-6-16)31-14-20(26)22-9-11-23(12-10-22)32(29,30)19-4-2-3-17(13-19)24(27)28/h2-8,13H,9-12,14H2,1H3,(H,21,25)