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

Systemtic Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-(3-phenylsulfanylprop-2-enoylamino)piperidine-4-carboxamide Openeye Name: 4-(3-phenylsulfanylprop-2-enoylamino)-N-[2-(p-tolylsulfonylamino)ethyl]piperidine-4-carboxamide CAS Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[[1-oxo-3-(phenylthio)prop-2-enyl]amino]-4-piperidinecarboxamide IUPAC Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-(3-phenylsulfanylprop-2-enoylamino)piperidine-4-carboxamide Traditional Name: 4-[[3-(phenylthio)acryloyl]amino]-N-[2-(tosylamino)ethyl]isonipecotamide Formula: C24H30N4O4S2 MolecularWeight: 502.6494

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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=CSC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)C=CSC3=CC=CC=C3

InChI

InChI=1S/C24H30N4O4S2/c1-19-7-9-21(10-8-19)34(31,32)27-17-16-26-23(30)24(12-14-25-15-13-24)28-22(29)11-18-33-20-5-3-2-4-6-20/h2-11,18,25,27H,12-17H2,1H3,(H,26,30)(H,28,29)