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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxylic acid Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxylic acid CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenecarboxylic acid IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxylic acid Traditional Name: 4-(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=CSC(=C3)C(=O)O

Isomeric SMILES

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

InChI

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