2-[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[[5-[2-(p-tolyl)ethynyl]-2-thienyl]sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[[5-[2-(4-methylphenyl)ethynyl]-2-thiophenyl]sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[[5-[2-(p-tolyl)ethynyl]-2-thienyl]sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C23H19NO4S2 MolecularWeight: 437.53126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)O

InChI

InChI=1S/C23H19NO4S2/c1-16-6-8-17(9-7-16)10-11-20-12-13-22(29-20)30(27,28)24-15-19-5-3-2-4-18(19)14-21(24)23(25)26/h2-9,12-13,21H,14-15H2,1H3,(H,25,26)