1-[4-(3,4-dimethylphenyl)sulfanyl-3-nitro-phenyl]sulfonyl-4-methyl-piperazine

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfanyl-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[4-(3,4-dimethylphenyl)sulfanyl-3-nitro-phenyl]sulfonyl-4-methyl-piperazine CAS Name: 1-[4-[(3,4-dimethylphenyl)thio]-3-nitrophenyl]sulfonyl-4-methylpiperazine IUPAC Name: 1-[4-(3,4-dimethylphenyl)sulfanyl-3-nitrophenyl]sulfonyl-4-methylpiperazine Traditional Name: 1-[4-[(3,4-dimethylphenyl)thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H23N3O4S2/c1-14-4-5-16(12-15(14)2)27-19-7-6-17(13-18(19)22(23)24)28(25,26)21-10-8-20(3)9-11-21/h4-7,12-13H,8-11H2,1-3H3