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

Systemtic Name: 2-[4-(4-chlorophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-[4-(4-chlorophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 2-[4-(4-chlorophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-[4-(4-chlorophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-[4-(4-chlorophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C22H18ClNO4S MolecularWeight: 427.90062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClNO4S/c23-18-9-5-15(6-10-18)16-7-11-19(12-8-16)29(27,28)24-14-13-17-3-1-2-4-20(17)21(24)22(25)26/h1-12,21H,13-14H2,(H,25,26)