(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(thiophen-2-ylsulfonylamino)ethanoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(thiophen-2-ylsulfonylamino)ethanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(2-thienylsulfonylamino)acetate CAS Name: 2-(thiophen-2-ylsulfonylamino)acetic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-thienylsulfonylamino)acetic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C18H22N4O6S3 MolecularWeight: 486.58548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CNS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CNS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H22N4O6S3/c1-2-3-8-22-15-7-6-13(30(19,24)25)10-14(15)21-16(22)12-28-17(23)11-20-31(26,27)18-5-4-9-29-18/h4-7,9-10,20H,2-3,8,11-12H2,1H3,(H2,19,24,25)