(3R,4R)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-(phenylmethyl)pyrrolidin-3-ol

Systemtic Name: (3R,4R)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-(phenylmethyl)pyrrolidin-3-ol Openeye Name: (3R,4R)-1-benzyl-4-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrrolidin-3-ol CAS Name: (3R,4R)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-(phenylmethyl)-3-pyrrolidinol IUPAC Name: (3R,4R)-1-benzyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrrolidin-3-ol Traditional Name: (3R,4R)-1-benzyl-4-(4-tosylpiperazino)pyrrolidin-3-ol Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CN(CC3O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)[C@@H]3CN(C[C@H]3O)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N3O3S/c1-18-7-9-20(10-8-18)29(27,28)25-13-11-24(12-14-25)21-16-23(17-22(21)26)15-19-5-3-2-4-6-19/h2-10,21-22,26H,11-17H2,1H3/t21-,22-/m1/s1