2-[4-(4-chlorophenyl)phenyl]sulfonyl-7-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[4-(4-chlorophenyl)phenyl]sulfonyl-7-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[4-(4-chlorophenyl)phenyl]sulfonyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[4-(4-chlorophenyl)phenyl]sulfonyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[4-(4-chlorophenyl)phenyl]sulfonyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[4-(4-chlorophenyl)phenyl]sulfonyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H18ClNO5S MolecularWeight: 443.90002

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C=CC(=C2)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C22H18ClNO5S/c23-18-6-1-14(2-7-18)15-4-9-20(10-5-15)30(28,29)24-13-17-11-19(25)8-3-16(17)12-21(24)22(26)27/h1-11,21,25H,12-13H2,(H,26,27)