N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-(4-phenylbut-3-enoylamino)piperidine-4-carboxamide

Systemtic Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-(4-phenylbut-3-enoylamino)piperidine-4-carboxamide Openeye Name: 4-(4-phenylbut-3-enoylamino)-N-[2-(p-tolylsulfonylamino)ethyl]piperidine-4-carboxamide CAS Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[(1-oxo-4-phenylbut-3-enyl)amino]-4-piperidinecarboxamide IUPAC Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-(4-phenylbut-3-enoylamino)piperidine-4-carboxamide Traditional Name: 4-(4-phenylbut-3-enoylamino)-N-[2-(tosylamino)ethyl]isonipecotamide Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)CC=CC3=CC=CC=C3

InChI

InChI=1S/C25H32N4O4S/c1-20-10-12-22(13-11-20)34(32,33)28-19-18-27-24(31)25(14-16-26-17-15-25)29-23(30)9-5-8-21-6-3-2-4-7-21/h2-8,10-13,26,28H,9,14-19H2,1H3,(H,27,31)(H,29,30)