N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]piperidine-4-carboxamide

Systemtic Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]piperidine-4-carboxamide Openeye Name: 4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]-N-[2-(p-tolylsulfonylamino)ethyl]piperidine-4-carboxamide CAS Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4-piperidinecarboxamide IUPAC Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]piperidine-4-carboxamide Traditional Name: 4-[[2-[(4-methylpyrimidin-2-yl)thio]acetyl]amino]-N-[2-(tosylamino)ethyl]isonipecotamide Formula: C22H30N6O4S2 MolecularWeight: 506.6414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)CSC3=NC=CC(=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2(CCNCC2)NC(=O)CSC3=NC=CC(=N3)C

InChI

InChI=1S/C22H30N6O4S2/c1-16-3-5-18(6-4-16)34(31,32)26-14-13-24-20(30)22(8-11-23-12-9-22)28-19(29)15-33-21-25-10-7-17(2)27-21/h3-7,10,23,26H,8-9,11-15H2,1-2H3,(H,24,30)(H,28,29)