(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CCNC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CCNC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C23H28N4O5S/c1-3-4-13-27-20-10-9-17(33(24,30)31)14-19(20)26-21(27)15-32-22(28)11-12-25-23(29)18-8-6-5-7-16(18)2/h5-10,14H,3-4,11-13,15H2,1-2H3,(H,25,29)(H2,24,30,31)