1-(4-methylphenyl)sulfonyl-N-[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]piperidine-4-carboxamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-(phenethylamino)ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[(2S)-1-oxo-1-(phenethylamino)propan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[(2S)-1-oxo-1-(phenethylamino)propan-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(phenethylamino)ethyl]-1-tosyl-isonipecotamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O4S/c1-18-8-10-22(11-9-18)32(30,31)27-16-13-21(14-17-27)24(29)26-19(2)23(28)25-15-12-20-6-4-3-5-7-20/h3-11,19,21H,12-17H2,1-2H3,(H,25,28)(H,26,29)/t19-/m0/s1