2-[[(2S)-1-(4-methoxy-2,6-dimethyl-phenyl)sulfonylpyrrolidin-2-yl]methoxy]-4-(4-methylpiperazin-1-yl)pyrimidine

Systemtic Name: 2-[[(2S)-1-(4-methoxy-2,6-dimethyl-phenyl)sulfonylpyrrolidin-2-yl]methoxy]-4-(4-methylpiperazin-1-yl)pyrimidine Openeye Name: 2-[[(2S)-1-(4-methoxy-2,6-dimethyl-phenyl)sulfonylpyrrolidin-2-yl]methoxy]-4-(4-methylpiperazin-1-yl)pyrimidine CAS Name: 2-[[(2S)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-pyrrolidinyl]methoxy]-4-(4-methyl-1-piperazinyl)pyrimidine IUPAC Name: 2-[[(2S)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-4-(4-methylpiperazin-1-yl)pyrimidine Traditional Name: 2-[[(2S)-1-(4-methoxy-2,6-dimethyl-phenyl)sulfonylpyrrolidin-2-yl]methoxy]-4-(4-methylpiperazino)pyrimidine Formula: C23H33N5O4S MolecularWeight: 475.60422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCCC2COC3=NC=CC(=N3)N4CCN(CC4)C)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCC[C@H]2COC3=NC=CC(=N3)N4CCN(CC4)C)C)OC

InChI

InChI=1S/C23H33N5O4S/c1-17-14-20(31-4)15-18(2)22(17)33(29,30)28-9-5-6-19(28)16-32-23-24-8-7-21(25-23)27-12-10-26(3)11-13-27/h7-8,14-15,19H,5-6,9-13,16H2,1-4H3/t19-/m0/s1