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

Systemtic Name: [(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[(2S)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]methanone CAS Name: [(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone Traditional Name: (4-benzylpiperazino)-[(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)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c1-19-9-11-21(12-10-19)30(28,29)26-13-5-8-22(26)23(27)25-16-14-24(15-17-25)18-20-6-3-2-4-7-20/h2-4,6-7,9-12,22H,5,8,13-18H2,1H3/t22-/m0/s1