(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H27N3O6S/c1-2-27-20-8-7-18(34(29,30)26-10-4-3-5-11-26)15-19(20)25-23(27)16-33-24(28)17-6-9-21-22(14-17)32-13-12-31-21/h6-9,14-15H,2-5,10-13,16H2,1H3