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

Systemtic Name: (3R)-2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-2-benzylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-2-benzylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-2-benzylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)S(=O)(=O)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H17NO4S/c19-17(20)16-10-14-8-4-5-9-15(14)11-18(16)23(21,22)12-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,19,20)/t16-/m1/s1