N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]phenyl]carbonylamino]piperidine-4-carboxamide

Systemtic Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]phenyl]carbonylamino]piperidine-4-carboxamide Openeye Name: N-[2-(p-tolylsulfonylamino)ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide CAS Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[[oxo-[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-4-piperidinecarboxamide IUPAC Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide Traditional Name: N-[2-(tosylamino)ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]isonipecotamide Formula: C29H31F3N4O4S MolecularWeight: 588.64105

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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=CC=C3C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C29H31F3N4O4S/c1-20-6-12-23(13-7-20)41(39,40)35-19-18-34-27(38)28(14-16-33-17-15-28)36-26(37)25-5-3-2-4-24(25)21-8-10-22(11-9-21)29(30,31)32/h2-13,33,35H,14-19H2,1H3,(H,34,38)(H,36,37)