methyl 4-[3-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylacetyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C27H30N4O5S2 MolecularWeight: 554.6809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C27H30N4O5S2/c1-5-6-13-30-24-12-11-21(38(28,34)35)15-23(24)29-27(30)37-16-25(32)22-14-17(2)31(18(22)3)20-9-7-19(8-10-20)26(33)36-4/h7-12,14-15H,5-6,13,16H2,1-4H3,(H2,28,34,35)