methyl 2-butyl-3-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-3-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-[2-(carbethoxysulfamoyl)phenyl]benzyl]benzimidazole-4-carboxylic acid methyl ester Formula: C29H31N3O6S MolecularWeight: 549.63794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)OCC)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)OCC)C(=O)OC

InChI

InChI=1S/C29H31N3O6S/c1-4-6-14-26-30-24-12-9-11-23(28(33)37-3)27(24)32(26)19-20-15-17-21(18-16-20)22-10-7-8-13-25(22)39(35,36)31-29(34)38-5-2/h7-13,15-18H,4-6,14,19H2,1-3H3,(H,31,34)