1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)isonipecotamide Formula: C15H18N6O5S MolecularWeight: 394.40562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC=NN3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC=NN3

InChI

InChI=1S/C15H18N6O5S/c1-10-2-3-12(21(23)24)8-13(10)27(25,26)20-6-4-11(5-7-20)14(22)18-15-16-9-17-19-15/h2-3,8-9,11H,4-7H2,1H3,(H2,16,17,18,19,22)