4-[2-(6-methoxy-3-nitro-pyridin-2-yl)sulfanylpropanoylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide

Systemtic Name: 4-[2-(6-methoxy-3-nitro-pyridin-2-yl)sulfanylpropanoylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide Openeye Name: 4-[2-[(6-methoxy-3-nitro-2-pyridyl)sulfanyl]propanoylamino]-N-[2-(p-tolylsulfonylamino)ethyl]piperidine-4-carboxamide CAS Name: 4-[[2-[(6-methoxy-3-nitro-2-pyridinyl)thio]-1-oxopropyl]amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-piperidinecarboxamide IUPAC Name: 4-[2-(6-methoxy-3-nitropyridin-2-yl)sulfanylpropanoylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide Traditional Name: 4-[2-[(6-methoxy-3-nitro-2-pyridyl)thio]propanoylamino]-N-[2-(tosylamino)ethyl]isonipecotamide Formula: C24H32N6O7S2 MolecularWeight: 580.67688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)C(C)SC3=C(C=CC(=N3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)C(C)SC3=C(C=CC(=N3)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H32N6O7S2/c1-16-4-6-18(7-5-16)39(35,36)27-15-14-26-23(32)24(10-12-25-13-11-24)29-21(31)17(2)38-22-19(30(33)34)8-9-20(28-22)37-3/h4-9,17,25,27H,10-15H2,1-3H3,(H,26,32)(H,29,31)