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

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]isonipecotamide Formula: C24H26N4O3S2 MolecularWeight: 482.61824

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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)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H26N4O3S2/c1-17-16-18(2)26-24(25-17)32-21-10-8-20(9-11-21)27-23(29)19-12-14-28(15-13-19)33(30,31)22-6-4-3-5-7-22/h3-11,16,19H,12-15H2,1-2H3,(H,27,29)