2-(5-chloranyl-2-phenyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(5-chloranyl-2-phenyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(5-chloro-2-phenyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(5-chloro-2-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(5-chloro-2-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(5-chloro-2-phenyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H18ClNO4S MolecularWeight: 427.90062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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