(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-methylbenzoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-methylbenzoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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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(=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-3-4-10-23-18-9-8-16(28(21,25)26)12-17(18)22-19(23)13-27-20(24)15-7-5-6-14(2)11-15/h5-9,11-12H,3-4,10,13H2,1-2H3,(H2,21,25,26)