[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]butan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]butan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: 1-[(4-sulfamoylphenyl)carbamoyl]propyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid 1-[(4-sulfamoylphenyl)carbamoyl]propyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C21H21N3O5S/c1-3-19(20(25)24-14-8-10-15(11-9-14)30(22,27)28)29-21(26)17-12-13(2)23-18-7-5-4-6-16(17)18/h4-12,19H,3H2,1-2H3,(H,24,25)(H2,22,27,28)