[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-hydroxy-3-(indan-2-ylamino)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl] ester IUPAC Name: [(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-3-(indan-2-ylamino)propyl] ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CNC2CC3=CC=CC=C3C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CNC2CC3=CC=CC=C3C2)O

InChI

InChI=1S/C19H23NO4S/c1-14-6-8-19(9-7-14)25(22,23)24-13-18(21)12-20-17-10-15-4-2-3-5-16(15)11-17/h2-9,17-18,20-21H,10-13H2,1H3/t18-/m0/s1