1-methyl-4-[3-nitro-4-(phenylmethylsulfanyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-methyl-4-[3-nitro-4-(phenylmethylsulfanyl)phenyl]sulfonyl-piperazine Openeye Name: 1-(4-benzylsulfanyl-3-nitro-phenyl)sulfonyl-4-methyl-piperazine CAS Name: 1-methyl-4-[3-nitro-4-(phenylmethylthio)phenyl]sulfonylpiperazine IUPAC Name: 1-(4-benzylsulfanyl-3-nitrophenyl)sulfonyl-4-methylpiperazine Traditional Name: 1-[4-(benzylthio)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S2/c1-19-9-11-20(12-10-19)27(24,25)16-7-8-18(17(13-16)21(22)23)26-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3