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

Systemtic Name: 1-[2-(4-methylphenyl)sulfanylethyl]-4-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-[2-(p-tolylsulfanyl)ethyl]piperazine CAS Name: 1-[2-[(4-methylphenyl)thio]ethyl]-4-(2-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[2-(4-methylphenyl)sulfanylethyl]-4-(2-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(2-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/c1-16-6-8-17(9-7-16)27-15-14-20-10-12-21(13-11-20)28(25,26)19-5-3-2-4-18(19)22(23)24/h2-9H,10-15H2,1H3