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

Systemtic Name: [(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: [(2S)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]-[4-(2-thienylmethyl)piperazin-1-yl]methanone CAS Name: [(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Traditional Name: [4-(2-thenyl)piperazino]-[(2S)-1-tosylpyrrolidin-2-yl]methanone Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C21H27N3O3S2/c1-17-6-8-19(9-7-17)29(26,27)24-10-2-5-20(24)21(25)23-13-11-22(12-14-23)16-18-4-3-15-28-18/h3-4,6-9,15,20H,2,5,10-14,16H2,1H3/t20-/m0/s1