4-[(6-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoic acid

Systemtic Name: 4-[(6-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoic acid Openeye Name: 4-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoic acid CAS Name: 4-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoic acid IUPAC Name: 4-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoic acid Traditional Name: 4-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoic acid Formula: C16H14ClNO4S MolecularWeight: 351.80466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H14ClNO4S/c17-14-4-1-13-10-18(8-7-12(13)9-14)23(21,22)15-5-2-11(3-6-15)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)