methyl 1-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperidine-4-carboxylate Traditional Name: 1-[(2-keto-1,3-dihydrobenzimidazol-5-yl)sulfonyl]isonipecotic acid methyl ester Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3

Isomeric SMILES

COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3

InChI

InChI=1S/C14H17N3O5S/c1-22-13(18)9-4-6-17(7-5-9)23(20,21)10-2-3-11-12(8-10)16-14(19)15-11/h2-3,8-9H,4-7H2,1H3,(H2,15,16,19)