ethyl 1-[(6-methyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(6-methyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperidine-4-carboxylate Traditional Name: 1-[(2-keto-6-methyl-1,3-dihydrobenzimidazol-5-yl)sulfonyl]isonipecotic acid ethyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2C)NC(=O)N3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2C)NC(=O)N3

InChI

InChI=1S/C16H21N3O5S/c1-3-24-15(20)11-4-6-19(7-5-11)25(22,23)14-9-13-12(8-10(14)2)17-16(21)18-13/h8-9,11H,3-7H2,1-2H3,(H2,17,18,21)