N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-1-mesyl-isonipecotamide Formula: C19H24N4O3S2 MolecularWeight: 420.54886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C19H24N4O3S2/c1-13-12-14(2)21-19(20-13)27-17-6-4-16(5-7-17)22-18(24)15-8-10-23(11-9-15)28(3,25)26/h4-7,12,15H,8-11H2,1-3H3,(H,22,24)