N-(cyclopropylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-methylsulfonyl-benzenesulfonamide

Systemtic Name: N-(cyclopropylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-methylsulfonyl-benzenesulfonamide Openeye Name: N-(cyclopropylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)-4-piperidyl]-3-methylsulfonyl-benzenesulfonamide CAS Name: N-(cyclopropylmethyl)-N-[1-(4-methoxy-2-pyrimidinyl)-4-piperidinyl]-3-methylsulfonylbenzenesulfonamide IUPAC Name: N-(cyclopropylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-methylsulfonylbenzenesulfonamide Traditional Name: N-(cyclopropylmethyl)-3-mesyl-N-[1-(4-methoxypyrimidin-2-yl)-4-piperidyl]benzenesulfonamide Formula: C21H28N4O5S2 MolecularWeight: 480.60082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CCC(CC2)N(CC3CC3)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C

Isomeric SMILES

COC1=NC(=NC=C1)N2CCC(CC2)N(CC3CC3)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C

InChI

InChI=1S/C21H28N4O5S2/c1-30-20-8-11-22-21(23-20)24-12-9-17(10-13-24)25(15-16-6-7-16)32(28,29)19-5-3-4-18(14-19)31(2,26)27/h3-5,8,11,14,16-17H,6-7,9-10,12-13,15H2,1-2H3