[4-(3-methylphenyl)piperazin-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone

Systemtic Name: [4-(3-methylphenyl)piperazin-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone Openeye Name: [4-(m-tolyl)piperazin-1-yl]-[(2S)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]methanone CAS Name: [4-(3-methylphenyl)-1-piperazinyl]-[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]methanone IUPAC Name: [4-(3-methylphenyl)piperazin-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone Traditional Name: [4-(m-tolyl)piperazino]-[(2S)-1-tosylpyrrolidin-2-yl]methanone Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-18-8-10-21(11-9-18)30(28,29)26-12-4-7-22(26)23(27)25-15-13-24(14-16-25)20-6-3-5-19(2)17-20/h3,5-6,8-11,17,22H,4,7,12-16H2,1-2H3/t22-/m0/s1