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

Systemtic Name: (3R)-2-(4-phenoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-2-(4-phenoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-2-(4-phenoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-2-(4-phenoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-2-(4-phenoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H19NO5S/c24-22(25)21-14-16-6-4-5-7-17(16)15-23(21)29(26,27)20-12-10-19(11-13-20)28-18-8-2-1-3-9-18/h1-13,21H,14-15H2,(H,24,25)/t21-/m1/s1