methyl 1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]cyclohexanecarboxylate CAS Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-oxopropyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]cyclohexane-1-carboxylate Traditional Name: 1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]cyclohexanecarboxylic acid methyl ester Formula: C19H25NO7S MolecularWeight: 411.4693

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H25NO7S/c1-25-18(22)19(8-3-2-4-9-19)20-17(21)7-12-28(23,24)14-5-6-15-16(13-14)27-11-10-26-15/h5-6,13H,2-4,7-12H2,1H3,(H,20,21)