4-[(2-ethyl-5-methyl-4-nitro-pyrazol-3-yl)carbonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide

Systemtic Name: 4-[(2-ethyl-5-methyl-4-nitro-pyrazol-3-yl)carbonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide Openeye Name: 4-[(2-ethyl-5-methyl-4-nitro-pyrazole-3-carbonyl)amino]-N-[2-(p-tolylsulfonylamino)ethyl]piperidine-4-carboxamide CAS Name: 4-[[(2-ethyl-5-methyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-piperidinecarboxamide IUPAC Name: 4-[(2-ethyl-5-methyl-4-nitropyrazole-3-carbonyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide Traditional Name: 4-[(2-ethyl-5-methyl-4-nitro-pyrazole-3-carbonyl)amino]-N-[2-(tosylamino)ethyl]isonipecotamide Formula: C22H31N7O6S MolecularWeight: 521.58984

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)[N+](=O)[O-])C(=O)NC2(CCNCC2)C(=O)NCCNS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)[N+](=O)[O-])C(=O)NC2(CCNCC2)C(=O)NCCNS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H31N7O6S/c1-4-28-19(18(29(32)33)16(3)27-28)20(30)26-22(9-11-23-12-10-22)21(31)24-13-14-25-36(34,35)17-7-5-15(2)6-8-17/h5-8,23,25H,4,9-14H2,1-3H3,(H,24,31)(H,26,30)