[(1R,2R,3R)-3-[bis(phenylmethyl)amino]-2-oxidanyl-cyclopentyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,2R,3R)-3-[bis(phenylmethyl)amino]-2-oxidanyl-cyclopentyl] 4-methylbenzenesulfonate Openeye Name: [(1R,2R,3R)-3-(dibenzylamino)-2-hydroxy-cyclopentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,2R,3R)-3-[bis(phenylmethyl)amino]-2-hydroxycyclopentyl] ester IUPAC Name: [(1R,2R,3R)-3-(dibenzylamino)-2-hydroxycyclopentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2R,3R)-3-(dibenzylamino)-2-hydroxy-cyclopentyl] ester Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(C2O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CC[C@H]([C@H]2O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29NO4S/c1-20-12-14-23(15-13-20)32(29,30)31-25-17-16-24(26(25)28)27(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22/h2-15,24-26,28H,16-19H2,1H3/t24-,25-,26-/m1/s1