6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-[4-(3-chlorophenyl)piperazino]sulfonyl-4-keto-1H-quinoline-3-carboxylic acid Formula: C20H18ClN3O5S MolecularWeight: 447.89202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)O

InChI

InChI=1S/C20H18ClN3O5S/c21-13-2-1-3-14(10-13)23-6-8-24(9-7-23)30(28,29)15-4-5-18-16(11-15)19(25)17(12-22-18)20(26)27/h1-5,10-12H,6-9H2,(H,22,25)(H,26,27)