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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxylic acid Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxylic acid CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenecarboxylic acid IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxylic acid Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thenoic acid Formula: C14H13NO4S2 MolecularWeight: 323.38732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO4S2/c16-14(17)13-12(6-8-20-13)21(18,19)15-7-5-10-3-1-2-4-11(10)9-15/h1-4,6,8H,5,7,9H2,(H,16,17)