1-[2-(4-methylphenyl)sulfanylethyl]-4-(3-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[2-(4-methylphenyl)sulfanylethyl]-4-(3-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-(3-nitrophenyl)sulfonyl-4-[2-(p-tolylsulfanyl)ethyl]piperazine CAS Name: 1-[2-[(4-methylphenyl)thio]ethyl]-4-(3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[2-(4-methylphenyl)sulfanylethyl]-4-(3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(3-nitrophenyl)sulfonyl-4-[2-(p-tolylthio)ethyl]piperazine Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S2/c1-16-5-7-18(8-6-16)27-14-13-20-9-11-21(12-10-20)28(25,26)19-4-2-3-17(15-19)22(23)24/h2-8,15H,9-14H2,1H3