2-[4-(phenylcarbonyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[4-(phenylcarbonyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(4-benzoylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(4-benzoylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(4-benzoylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(4-benzoylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C23H19NO5S MolecularWeight: 421.46566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19NO5S/c25-22(16-6-2-1-3-7-16)17-10-12-20(13-11-17)30(28,29)24-15-19-9-5-4-8-18(19)14-21(24)23(26)27/h1-13,21H,14-15H2,(H,26,27)