5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-3-carboxylate

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-3-carboxylate Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-3-carboxylate CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-thiophenecarboxylate IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-3-carboxylate Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-thenoate Formula: C14H12NO4S2- MolecularWeight: 322.37938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=CS3)C(=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=CS3)C(=O)[O-]

InChI

InChI=1S/C14H13NO4S2/c16-14(17)12-7-13(20-9-12)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)/p-1