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

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

Systemtic Name:6-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid
Openeye Name:6-[3-methyl-4-(p-tolyl)piperazin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
CAS Name:6-[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]sulfonyl]-4-oxo-1H-quinoline-3-carboxylic acid
IUPAC Name:6-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
Traditional Name:4-keto-6-[3-methyl-4-(p-tolyl)piperazino]sulfonyl-1H-quinoline-3-carboxylic acid
Formula: C22H23N3O5S
MolecularWeight: 441.50012
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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)O


Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)O


InChI

InChI=1S/C22H23N3O5S/c1-14-3-5-16(6-4-14)25-10-9-24(13-15(25)2)31(29,30)17-7-8-20-18(11-17)21(26)19(12-23-20)22(27)28/h3-8,11-12,15H,9-10,13H2,1-2H3,(H,23,26)(H,27,28)


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