1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol

Systemtic Name: 1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol Openeye Name: 1-(4-isopropylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol CAS Name: 1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol IUPAC Name: 1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol Traditional Name: 1-(4-isopropylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)C(CN2)O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)C(CN2)O

InChI

InChI=1S/C18H21NO4S/c1-11(2)24(22,23)14-6-3-12(4-7-14)18-15-8-5-13(20)9-16(15)17(21)10-19-18/h3-9,11,17-21H,10H2,1-2H3