methyl 4-(3H-benzimidazol-5-ylsulfonyl)butanoate

Systemtic Name: methyl 4-(3H-benzimidazol-5-ylsulfonyl)butanoate Openeye Name: methyl 4-(3H-benzimidazol-5-ylsulfonyl)butanoate CAS Name: 4-(3H-benzimidazol-5-ylsulfonyl)butanoic acid methyl ester IUPAC Name: methyl 4-(3H-benzimidazol-5-ylsulfonyl)butanoate Traditional Name: 4-(3H-benzimidazol-5-ylsulfonyl)butyric acid methyl ester Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCS(=O)(=O)C1=CC2=C(C=C1)N=CN2

Isomeric SMILES

COC(=O)CCCS(=O)(=O)C1=CC2=C(C=C1)N=CN2

InChI

InChI=1S/C12H14N2O4S/c1-18-12(15)3-2-6-19(16,17)9-4-5-10-11(7-9)14-8-13-10/h4-5,7-8H,2-3,6H2,1H3,(H,13,14)