3-methyl-1-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonyl-piperidine

Systemtic Name: 3-methyl-1-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonyl-piperidine Openeye Name: 3-methyl-1-[4-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonyl-piperidine CAS Name: 3-methyl-1-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 3-methyl-1-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitrophenyl]sulfonylpiperidine Traditional Name: 3-methyl-1-[4-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-3-nitro-phenyl]sulfonyl-piperidine Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4=CC=CC=C4C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4=CC=CC=C4C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4S2/c1-15-7-6-12-25(14-15)33(30,31)18-10-11-21(20(13-18)27(28)29)32-22-24-23-17(3)26(22)19-9-5-4-8-16(19)2/h4-5,8-11,13,15H,6-7,12,14H2,1-3H3