(3S)-N-(4-methylpyrimidin-2-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-methylpyrimidin-2-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-(4-methylpyrimidin-2-yl)nipecotamide Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4O3S/c1-13-9-10-18-17(19-13)20-16(22)14-6-5-11-21(12-14)25(23,24)15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-12H2,1H3,(H,18,19,20,22)/t14-/m0/s1