(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4O4S2/c1-2-3-12-26-18-9-8-15(32(23,28)29)13-17(18)24-20(26)14-30-22(27)11-10-21-25-16-6-4-5-7-19(16)31-21/h4-9,13H,2-3,10-12,14H2,1H3,(H2,23,28,29)