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

Systemtic Name: 2-[2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[(5-methyl-2-thienyl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[(5-methyl-2-thiophenyl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[(5-methyl-2-thienyl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)O

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)O

InChI

InChI=1S/C16H17NO4S2/c1-11-6-7-16(22-11)23(20,21)17-9-8-12-4-2-3-5-13(12)14(17)10-15(18)19/h2-7,14H,8-10H2,1H3,(H,18,19)