(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide

Systemtic Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide Openeye Name: (2S)-3-phenyl-2-(p-tolylsulfonylamino)-N-[(1-pyrimidin-2-yl-3-piperidyl)methyl]propanamide CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-[[1-(2-pyrimidinyl)-3-piperidinyl]methyl]propanamide IUPAC Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide Traditional Name: (2S)-3-phenyl-N-[[1-(2-pyrimidyl)-3-piperidyl]methyl]-2-(tosylamino)propionamide Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NCC3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C26H31N5O3S/c1-20-10-12-23(13-11-20)35(33,34)30-24(17-21-7-3-2-4-8-21)25(32)29-18-22-9-5-16-31(19-22)26-27-14-6-15-28-26/h2-4,6-8,10-15,22,24,30H,5,9,16-19H2,1H3,(H,29,32)/t22?,24-/m0/s1