[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=NC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=NC=CC=N4)OC

InChI

InChI=1S/C22H29N5O5S/c1-31-19-5-4-18(16-20(19)32-2)33(29,30)27-10-6-17(7-11-27)21(28)25-12-14-26(15-13-25)22-23-8-3-9-24-22/h3-5,8-9,16-17H,6-7,10-15H2,1-2H3