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

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(2-phenylethanoylamino)propanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-[(2-phenylacetyl)amino]propanoate CAS Name: 3-[(1-oxo-2-phenylethyl)amino]propanoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-phenylacetyl)amino]propanoate Traditional Name: 3-[(2-phenylacetyl)amino]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)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CCNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O5S/c1-2-3-13-27-20-10-9-18(33(24,30)31)15-19(20)26-21(27)16-32-23(29)11-12-25-22(28)14-17-7-5-4-6-8-17/h4-10,15H,2-3,11-14,16H2,1H3,(H,25,28)(H2,24,30,31)