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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4S/c18-16(19)13-6-3-7-15(10-13)22(20,21)17-9-8-12-4-1-2-5-14(12)11-17/h1-7,10H,8-9,11H2,(H,18,19)