(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C17H19ClN4O4S MolecularWeight: 410.87516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC(=CN3)Cl

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC(=CN3)Cl

InChI

InChI=1S/C17H19ClN4O4S/c1-2-3-6-22-15-5-4-12(27(19,24)25)8-13(15)21-16(22)10-26-17(23)14-7-11(18)9-20-14/h4-5,7-9,20H,2-3,6,10H2,1H3,(H2,19,24,25)