(3R)-2-(4-propan-2-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3R)-2-(4-propan-2-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-2-(4-isopropylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-2-(4-propan-2-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-2-(4-propan-2-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-2-p-cumenylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)O

InChI

InChI=1S/C19H21NO4S/c1-13(2)14-7-9-17(10-8-14)25(23,24)20-12-16-6-4-3-5-15(16)11-18(20)19(21)22/h3-10,13,18H,11-12H2,1-2H3,(H,21,22)/t18-/m1/s1