1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate

Systemtic Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Openeye Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate CAS Name: 1-[4-(methylamino)-3-nitrophenyl]sulfonyl-N-(1H-1,2,4-triazol-5-yl)-4-piperidinecarboximidate IUPAC Name: 1-[4-(methylamino)-3-nitrophenyl]sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Traditional Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Formula: C15H18N7O5S- MolecularWeight: 408.41232

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=NC3=NC=NN3)[O-])[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=NC3=NC=NN3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H19N7O5S/c1-16-12-3-2-11(8-13(12)22(24)25)28(26,27)21-6-4-10(5-7-21)14(23)19-15-17-9-18-20-15/h2-3,8-10,16H,4-7H2,1H3,(H2,17,18,19,20,23)/p-1