(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 2,4-dimethyl-6-oxidanylidene-pyran-3-carboxylate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 2,4-dimethyl-6-oxidanylidene-pyran-3-carboxylate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 2,4-dimethyl-6-oxo-pyran-3-carboxylate CAS Name: 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 2,4-dimethyl-6-oxopyran-3-carboxylate Traditional Name: 6-keto-2,4-dimethyl-pyran-3-carboxylic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=C(OC(=O)C=C4C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=C(OC(=O)C=C4C)C

InChI

InChI=1S/C23H27N3O6S/c1-4-26-19-9-8-17(33(29,30)25-10-6-5-7-11-25)13-18(19)24-20(26)14-31-23(28)22-15(2)12-21(27)32-16(22)3/h8-9,12-13H,4-7,10-11,14H2,1-3H3