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

Systemtic Name: 1-[4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine CAS Name: 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]sulfonylpiperidine Traditional Name: 1-[4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonylpiperidine Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O4S2/c1-24-20(14-16-8-4-2-5-9-16)22-23-21(24)31-19-11-10-17(15-18(19)26(27)28)32(29,30)25-12-6-3-7-13-25/h2,4-5,8-11,15H,3,6-7,12-14H2,1H3