3-[(5S,7aR)-2-(4-methylphenyl)sulfonyl-1,3,5,7a-tetrahydroisoindol-5-yl]propan-1-ol

Systemtic Name: 3-[(5S,7aR)-2-(4-methylphenyl)sulfonyl-1,3,5,7a-tetrahydroisoindol-5-yl]propan-1-ol Openeye Name: 3-[(5S,7aR)-2-(p-tolylsulfonyl)-1,3,5,7a-tetrahydroisoindol-5-yl]propan-1-ol CAS Name: 3-[(5S,7aR)-2-(4-methylphenyl)sulfonyl-1,3,5,7a-tetrahydroisoindol-5-yl]-1-propanol IUPAC Name: 3-[(5S,7aR)-2-(4-methylphenyl)sulfonyl-1,3,5,7a-tetrahydroisoindol-5-yl]propan-1-ol Traditional Name: 3-[(5S,7aR)-2-tosyl-1,3,5,7a-tetrahydroisoindol-5-yl]propan-1-ol Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3C=CC(C=C3C2)CCCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3C=C[C@@H](C=C3C2)CCCO

InChI

InChI=1S/C18H23NO3S/c1-14-4-8-18(9-5-14)23(21,22)19-12-16-7-6-15(3-2-10-20)11-17(16)13-19/h4-9,11,15-16,20H,2-3,10,12-13H2,1H3/t15-,16-/m0/s1