[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [(2S)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(2-pyrimidyl)piperazino]-[(2S)-1-tosylpyrrolidin-2-yl]methanone Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H25N5O3S/c1-16-5-7-17(8-6-16)29(27,28)25-11-2-4-18(25)19(26)23-12-14-24(15-13-23)20-21-9-3-10-22-20/h3,5-10,18H,2,4,11-15H2,1H3/t18-/m0/s1