N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[(3-nitro-1H-pyrazol-5-yl)carbonylamino]piperidine-4-carboxamide

Systemtic Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[(3-nitro-1H-pyrazol-5-yl)carbonylamino]piperidine-4-carboxamide Openeye Name: 4-[(3-nitro-1H-pyrazole-5-carbonyl)amino]-N-[2-(p-tolylsulfonylamino)ethyl]piperidine-4-carboxamide CAS Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[[(3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-4-piperidinecarboxamide IUPAC Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[(3-nitro-1H-pyrazole-5-carbonyl)amino]piperidine-4-carboxamide Traditional Name: 4-[(3-nitro-1H-pyrazole-5-carbonyl)amino]-N-[2-(tosylamino)ethyl]isonipecotamide Formula: C19H25N7O6S MolecularWeight: 479.5101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)C3=CC(=NN3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)C3=CC(=NN3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N7O6S/c1-13-2-4-14(5-3-13)33(31,32)22-11-10-21-18(28)19(6-8-20-9-7-19)23-17(27)15-12-16(25-24-15)26(29)30/h2-5,12,20,22H,6-11H2,1H3,(H,21,28)(H,23,27)(H,24,25)