3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-methylsulfonylbenzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-methylsulfonylbenzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C18H18N2O5S/c1-26(23,24)16-10-5-2-7-13(16)17(21)25-12-6-11-20-15-9-4-3-8-14(15)19-18(20)22/h2-5,7-10H,6,11-12H2,1H3,(H,19,22)