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

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CN3CCCCCC3=O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CN3CCCCCC3=O

InChI

InChI=1S/C20H28N4O5S/c1-2-3-11-24-17-9-8-15(30(21,27)28)12-16(17)22-18(24)14-29-20(26)13-23-10-6-4-5-7-19(23)25/h8-9,12H,2-7,10-11,13-14H2,1H3,(H2,21,27,28)