N-(2-dimethylaminoethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylsulfonyl-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylsulfonyl-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-3-methylsulfonyl-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-N-[1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]-3-methylsulfonylbenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methylsulfonylbenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-3-mesyl-benzenesulfonamide Formula: C22H33N5O4S2 MolecularWeight: 495.65852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)N(CCN(C)C)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)N(CCN(C)C)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C)C

InChI

InChI=1S/C22H33N5O4S2/c1-17-15-18(2)24-22(23-17)26-11-9-19(10-12-26)27(14-13-25(3)4)33(30,31)21-8-6-7-20(16-21)32(5,28)29/h6-8,15-16,19H,9-14H2,1-5H3