2-(1,3-benzodioxol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]cinchoninamide Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCC5=CC=C(C=C5)S(=O)(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCC5=CC=C(C=C5)S(=O)(=O)N

InChI

InChI=1S/C25H21N3O5S/c26-34(30,31)18-8-5-16(6-9-18)11-12-27-25(29)20-14-22(28-21-4-2-1-3-19(20)21)17-7-10-23-24(13-17)33-15-32-23/h1-10,13-14H,11-12,15H2,(H,27,29)(H2,26,30,31)