[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(4-methoxyphenyl)sulfonyl-4-piperidyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [1-(4-methoxyphenyl)sulfonyl-4-piperidyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O4S/c1-30-18-3-5-19(6-4-18)31(28,29)26-11-7-17(8-12-26)20(27)24-13-15-25(16-14-24)21-22-9-2-10-23-21/h2-6,9-10,17H,7-8,11-16H2,1H3