(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-oxidanylidenechromene-2-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C22H21N3O6S/c1-2-3-10-25-17-9-8-14(32(23,28)29)11-16(17)24-21(25)13-30-22(27)20-12-18(26)15-6-4-5-7-19(15)31-20/h4-9,11-12H,2-3,10,13H2,1H3,(H2,23,28,29)