2,4-bis(chloranyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid Openeye Name: 2,4-dichloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid CAS Name: 2,4-dichloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid IUPAC Name: 2,4-dichloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid Traditional Name: 2,4-dichloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid Formula: C16H13Cl2NO4S MolecularWeight: 386.24972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C16H13Cl2NO4S/c17-13-8-14(18)15(7-12(13)16(20)21)24(22,23)19-6-5-10-3-1-2-4-11(10)9-19/h1-4,7-8H,5-6,9H2,(H,20,21)