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

Systemtic Name: 1-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[3-nitro-4-(p-tolylsulfanyl)phenyl]sulfonylpiperidine CAS Name: 1-[4-[(4-methylphenyl)thio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[3-nitro-4-(p-tolylthio)phenyl]sulfonylpiperidine Formula: C18H20N2O4S2 MolecularWeight: 392.4924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S2/c1-14-5-7-15(8-6-14)25-18-10-9-16(13-17(18)20(21)22)26(23,24)19-11-3-2-4-12-19/h5-10,13H,2-4,11-12H2,1H3