methyl 3-[3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)propanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)propanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)propanoylamino]-3-(2-thienyl)propanoate CAS Name: 3-[[1-oxo-3-(1-propyl-5-sulfamoyl-2-benzimidazolyl)propyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanoylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)propanoylamino]-3-(2-thienyl)propionic acid methyl ester Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)NC(CC(=O)OC)C3=CC=CS3

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)NC(CC(=O)OC)C3=CC=CS3

InChI

InChI=1S/C21H26N4O5S2/c1-3-10-25-17-7-6-14(32(22,28)29)12-15(17)23-19(25)8-9-20(26)24-16(13-21(27)30-2)18-5-4-11-31-18/h4-7,11-12,16H,3,8-10,13H2,1-2H3,(H,24,26)(H2,22,28,29)