2-phenyl-3-[(4-sulfamoylpiperazin-1-yl)methyl]quinoline-4-carboxylic acid

Systemtic Name: 2-phenyl-3-[(4-sulfamoylpiperazin-1-yl)methyl]quinoline-4-carboxylic acid Openeye Name: 2-phenyl-3-[(4-sulfamoylpiperazin-1-yl)methyl]quinoline-4-carboxylic acid CAS Name: 2-phenyl-3-[(4-sulfamoyl-1-piperazinyl)methyl]-4-quinolinecarboxylic acid IUPAC Name: 2-phenyl-3-[(4-sulfamoylpiperazin-1-yl)methyl]quinoline-4-carboxylic acid Traditional Name: 2-phenyl-3-[(4-sulfamoylpiperazino)methyl]cinchoninic acid Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1CN(CCN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C21H22N4O4S/c22-30(28,29)25-12-10-24(11-13-25)14-17-19(21(26)27)16-8-4-5-9-18(16)23-20(17)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,26,27)(H2,22,28,29)