3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H25N3O6S/c1-16-7-8-17(32(28,29)24-10-13-30-14-11-24)15-18(16)21(26)31-12-4-9-25-20-6-3-2-5-19(20)23-22(25)27/h2-3,5-8,15H,4,9-14H2,1H3,(H,23,27)