[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [(2S)-1-(2,5-dimethoxyphenyl)sulfonyl-2-pyrrolidinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC[C@H]2C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N5O5S/c1-30-16-6-7-18(31-2)19(15-16)32(28,29)26-10-3-5-17(26)20(27)24-11-13-25(14-12-24)21-22-8-4-9-23-21/h4,6-9,15,17H,3,5,10-14H2,1-2H3/t17-/m0/s1