N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-3-piperidinosulfonyl-benzamide Formula: C24H26N4O3S2 MolecularWeight: 482.61824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C24H26N4O3S2/c1-17-15-18(2)26-24(25-17)32-21-11-9-20(10-12-21)27-23(29)19-7-6-8-22(16-19)33(30,31)28-13-4-3-5-14-28/h6-12,15-16H,3-5,13-14H2,1-2H3,(H,27,29)