(4-tert-butylphenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate

Systemtic Name: (4-tert-butylphenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: (4-tert-butylphenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(dimethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid (4-tert-butylbenzyl) ester Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)CCC2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)CCC2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C24H31N3O4S/c1-24(2,3)18-9-7-17(8-10-18)16-31-23(28)14-13-22-25-20-15-19(32(29,30)26(4)5)11-12-21(20)27(22)6/h7-12,15H,13-14,16H2,1-6H3