(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S2/c1-4-5-10-24-19-9-8-16(32(22,28)29)12-18(19)23-20(24)13-30-21(25)17-11-15(31(3,26)27)7-6-14(17)2/h6-9,11-12H,4-5,10,13H2,1-3H3,(H2,22,28,29)