(3S)-N-(4,6-dimethylpyrimidin-2-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4,6-dimethylpyrimidin-2-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-(4,6-dimethyl-2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-(4,6-dimethylpyrimidin-2-yl)nipecotamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H22N4O3S/c1-13-11-14(2)20-18(19-13)21-17(23)15-7-6-10-22(12-15)26(24,25)16-8-4-3-5-9-16/h3-5,8-9,11,15H,6-7,10,12H2,1-2H3,(H,19,20,21,23)/t15-/m0/s1