N-(6-imidazol-1-ylpyridin-3-yl)-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-imidazol-1-ylpyridin-3-yl)-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-imidazol-1-yl-3-pyridyl)-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[6-(1-imidazolyl)-3-pyridinyl]-1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-imidazol-1-ylpyridin-3-yl)-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-imidazol-1-yl-3-pyridyl)-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-isonipecotamide Formula: C21H23N7O5S MolecularWeight: 485.51622

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CN=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CN=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N7O5S/c1-22-18-4-3-17(12-19(18)28(30)31)34(32,33)27-9-6-15(7-10-27)21(29)25-16-2-5-20(24-13-16)26-11-8-23-14-26/h2-5,8,11-15,22H,6-7,9-10H2,1H3,(H,25,29)