(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C21H22N4O5S2/c1-2-3-8-25-17-6-5-14(32(22,28)29)10-15(17)23-19(25)11-30-21(27)13-4-7-18-16(9-13)24-20(26)12-31-18/h4-7,9-10H,2-3,8,11-12H2,1H3,(H,24,26)(H2,22,28,29)