N-[2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-pyridin-4-yl-piperidine-4-carboxamide

Systemtic Name: N-[2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-pyridin-4-yl-piperidine-4-carboxamide Openeye Name: N-[1-methyl-2-oxo-2-(1-piperidyl)-1-[[2-(p-tolylsulfonylamino)acetyl]amino]ethyl]-2-(4-pyridyl)piperidine-4-carboxamide CAS Name: N-[2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-pyridin-4-yl-4-piperidinecarboxamide IUPAC Name: N-[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-pyridin-4-ylpiperidine-4-carboxamide Traditional Name: N-[2-keto-1-methyl-2-piperidino-1-[[2-(tosylamino)acetyl]amino]ethyl]-2-(4-pyridyl)isonipecotamide Formula: C28H38N6O5S MolecularWeight: 570.70352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC(C)(C(=O)N2CCCCC2)NC(=O)C3CCNC(C3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC(C)(C(=O)N2CCCCC2)NC(=O)C3CCNC(C3)C4=CC=NC=C4

InChI

InChI=1S/C28H38N6O5S/c1-20-6-8-23(9-7-20)40(38,39)31-19-25(35)32-28(2,27(37)34-16-4-3-5-17-34)33-26(36)22-12-15-30-24(18-22)21-10-13-29-14-11-21/h6-11,13-14,22,24,30-31H,3-5,12,15-19H2,1-2H3,(H,32,35)(H,33,36)