2-(1,3-benzodioxol-5-yl)-6-methyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-6-methyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-6-methyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-6-methyl-N-[(4-sulfamoylphenyl)methyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-6-methyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-6-methyl-N-(4-sulfamoylbenzyl)cinchoninamide Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H21N3O5S/c1-15-2-8-21-19(10-15)20(12-22(28-21)17-5-9-23-24(11-17)33-14-32-23)25(29)27-13-16-3-6-18(7-4-16)34(26,30)31/h2-12H,13-14H2,1H3,(H,27,29)(H2,26,30,31)