N-(1-methylsulfonylpiperidin-4-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-(1-methylsulfonylpiperidin-4-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(1-methylsulfonyl-4-piperidyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(1-methylsulfonyl-4-piperidinyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(1-methylsulfonylpiperidin-4-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(1-mesyl-4-piperidyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C15H18N6O5S MolecularWeight: 394.40562

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

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