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

Systemtic Name: 1-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonylpiperidine Formula: C18H23N5O4S2 MolecularWeight: 437.53632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)C4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)C4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4S2/c24-23(25)15-12-14(29(26,27)22-10-4-1-5-11-22)8-9-16(15)28-18-19-17(20-21-18)13-6-2-3-7-13/h8-9,12-13H,1-7,10-11H2,(H,19,20,21)