2-(5-ethylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

Systemtic Name: 2-(5-ethylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide Openeye Name: 2-(5-ethyl-2-thienyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide CAS Name: 2-(5-ethyl-2-thiophenyl)-N-[(4-sulfamoylphenyl)methyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-ethylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide Traditional Name: 2-(5-ethyl-2-thienyl)-N-(4-sulfamoylbenzyl)cinchoninamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C23H21N3O3S2/c1-2-16-9-12-22(30-16)21-13-19(18-5-3-4-6-20(18)26-21)23(27)25-14-15-7-10-17(11-8-15)31(24,28)29/h3-13H,2,14H2,1H3,(H,25,27)(H2,24,28,29)