N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[2-[4-oxidanylidene-7-(trifluoromethyl)quinolin-1-yl]ethanoylamino]piperidine-4-carboxamide

Systemtic Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[2-[4-oxidanylidene-7-(trifluoromethyl)quinolin-1-yl]ethanoylamino]piperidine-4-carboxamide Openeye Name: 4-[[2-[4-oxo-7-(trifluoromethyl)-1-quinolyl]acetyl]amino]-N-[2-(p-tolylsulfonylamino)ethyl]piperidine-4-carboxamide CAS Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[[1-oxo-2-[4-oxo-7-(trifluoromethyl)-1-quinolinyl]ethyl]amino]-4-piperidinecarboxamide IUPAC Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[[2-[4-oxo-7-(trifluoromethyl)quinolin-1-yl]acetyl]amino]piperidine-4-carboxamide Traditional Name: 4-[[2-[4-keto-7-(trifluoromethyl)-1-quinolyl]acetyl]amino]-N-[2-(tosylamino)ethyl]isonipecotamide Formula: C27H30F3N5O5S MolecularWeight: 593.61781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)CN3C=CC(=O)C4=C3C=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)CN3C=CC(=O)C4=C3C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C27H30F3N5O5S/c1-18-2-5-20(6-3-18)41(39,40)33-14-13-32-25(38)26(9-11-31-12-10-26)34-24(37)17-35-15-8-23(36)21-7-4-19(16-22(21)35)27(28,29)30/h2-8,15-16,31,33H,9-14,17H2,1H3,(H,32,38)(H,34,37)