2-[2,6-bis(chloranyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2,6-bis(chloranyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2,6-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(2,6-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2,6-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2,6-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H13Cl2NO4S MolecularWeight: 386.24972

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC=C3Cl)Cl)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC=C3Cl)Cl)C(=O)O

InChI

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