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

Systemtic Name: 2-[5-(4-dimethylaminophenyl)thiophen-2-yl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[[5-(4-dimethylaminophenyl)-2-thienyl]sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[[5-(4-dimethylaminophenyl)-2-thiophenyl]sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[5-(4-dimethylaminophenyl)thiophen-2-yl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[[5-(4-dimethylaminophenyl)-2-thienyl]sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)O

InChI

InChI=1S/C22H22N2O4S2/c1-23(2)18-9-7-15(8-10-18)20-11-12-21(29-20)30(27,28)24-14-17-6-4-3-5-16(17)13-19(24)22(25)26/h3-12,19H,13-14H2,1-2H3,(H,25,26)