1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-[2-(phenylmethyl)pyrazol-3-yl]piperidine-4-carboxamide

Systemtic Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-[2-(phenylmethyl)pyrazol-3-yl]piperidine-4-carboxamide Openeye Name: N-(2-benzylpyrazol-3-yl)-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: 1-[4-(methylamino)-3-nitrophenyl]sulfonyl-N-[2-(phenylmethyl)-3-pyrazolyl]-4-piperidinecarboxamide IUPAC Name: N-(2-benzylpyrazol-3-yl)-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-benzylpyrazol-3-yl)-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-isonipecotamide Formula: C23H26N6O5S MolecularWeight: 498.55474

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=NN3CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=NN3CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N6O5S/c1-24-20-8-7-19(15-21(20)29(31)32)35(33,34)27-13-10-18(11-14-27)23(30)26-22-9-12-25-28(22)16-17-5-3-2-4-6-17/h2-9,12,15,18,24H,10-11,13-14,16H2,1H3,(H,26,30)