2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]ethanoic acid

Systemtic Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]ethanoic acid Openeye Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thienyl]acetic acid CAS Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenyl]acetic acid IUPAC Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]acetic acid Traditional Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thienyl]acetic acid Formula: C15H15NO4S2 MolecularWeight: 337.4139

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(S3)CC(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(S3)CC(=O)O

InChI

InChI=1S/C15H15NO4S2/c17-14(18)9-13-5-6-15(21-13)22(19,20)16-8-7-11-3-1-2-4-12(11)10-16/h1-6H,7-10H2,(H,17,18)