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

Systemtic Name: 1-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperidine Openeye Name: 1-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperidine CAS Name: 1-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonyl-4-methylpiperidine IUPAC Name: 1-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonyl-4-methylpiperidine Traditional Name: 1-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperidine Formula: C19H25N5O4S2 MolecularWeight: 451.5629

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)C4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)C4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4S2/c1-13-8-10-23(11-9-13)30(27,28)15-6-7-17(16(12-15)24(25)26)29-19-20-18(21-22-19)14-4-2-3-5-14/h6-7,12-14H,2-5,8-11H2,1H3,(H,20,21,22)