methyl 7-[[5-acetyloxy-6-(1,3-benzodioxol-5-yloxy)hexyl]sulfonylamino]hept-5-ynoate

Systemtic Name: methyl 7-[[5-acetyloxy-6-(1,3-benzodioxol-5-yloxy)hexyl]sulfonylamino]hept-5-ynoate Openeye Name: methyl 7-[[5-acetoxy-6-(1,3-benzodioxol-5-yloxy)hexyl]sulfonylamino]hept-5-ynoate CAS Name: 7-[[5-acetyloxy-6-(1,3-benzodioxol-5-yloxy)hexyl]sulfonylamino]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[[5-acetyloxy-6-(1,3-benzodioxol-5-yloxy)hexyl]sulfonylamino]hept-5-ynoate Traditional Name: 7-[[5-acetoxy-6-(1,3-benzodioxol-5-yloxy)hexyl]sulfonylamino]hept-5-ynoic acid methyl ester Formula: C23H31NO9S MolecularWeight: 497.55854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCS(=O)(=O)NCC#CCCCC(=O)OC)COC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(=O)OC(CCCCS(=O)(=O)NCC#CCCCC(=O)OC)COC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C23H31NO9S/c1-18(25)33-20(16-30-19-11-12-21-22(15-19)32-17-31-21)9-6-8-14-34(27,28)24-13-7-4-3-5-10-23(26)29-2/h11-12,15,20,24H,3,5-6,8-10,13-14,16-17H2,1-2H3