6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-keto-1H-quinoline-3-carboxylic acid Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)O

InChI

InChI=1S/C19H16N2O5S/c22-18-15-9-14(5-6-17(15)20-10-16(18)19(23)24)27(25,26)21-8-7-12-3-1-2-4-13(12)11-21/h1-6,9-10H,7-8,11H2,(H,20,22)(H,23,24)