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

Systemtic Name: 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=NC(=NS3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=NC(=NS3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C18H15N3O4S2/c22-17(23)15-10-13-8-4-5-9-14(13)11-21(15)27(24,25)18-19-16(20-26-18)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,22,23)