1-[4-(3,4-dimethylphenyl)sulfanyl-3-nitro-phenyl]sulfonylpiperidine

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfanyl-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-(3,4-dimethylphenyl)sulfanyl-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-[(3,4-dimethylphenyl)thio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-(3,4-dimethylphenyl)sulfanyl-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-[(3,4-dimethylphenyl)thio]-3-nitro-phenyl]sulfonylpiperidine Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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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)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N2O4S2/c1-14-6-7-16(12-15(14)2)26-19-9-8-17(13-18(19)21(22)23)27(24,25)20-10-4-3-5-11-20/h6-9,12-13H,3-5,10-11H2,1-2H3