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

Systemtic Name: 3-methyl-1-[4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonyl-piperidine Openeye Name: 1-[4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-3-methyl-piperidine CAS Name: 3-methyl-1-[4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonyl-3-methylpiperidine Traditional Name: 1-[4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonyl-3-methyl-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(N3C)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4S2/c1-16-7-6-12-26(15-16)33(30,31)18-10-11-20(19(14-18)27(28)29)32-22-24-23-21(25(22)2)13-17-8-4-3-5-9-17/h3-5,8-11,14,16H,6-7,12-13,15H2,1-2H3