methyl 7-[[5-acetyloxy-6-(3-methylphenoxy)hexyl]sulfonylamino]hept-5-ynoate

Systemtic Name: methyl 7-[[5-acetyloxy-6-(3-methylphenoxy)hexyl]sulfonylamino]hept-5-ynoate Openeye Name: methyl 7-[[5-acetoxy-6-(3-methylphenoxy)hexyl]sulfonylamino]hept-5-ynoate CAS Name: 7-[[5-acetyloxy-6-(3-methylphenoxy)hexyl]sulfonylamino]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[[5-acetyloxy-6-(3-methylphenoxy)hexyl]sulfonylamino]hept-5-ynoate Traditional Name: 7-[[5-acetoxy-6-(3-methylphenoxy)hexyl]sulfonylamino]hept-5-ynoic acid methyl ester Formula: C23H33NO7S MolecularWeight: 467.57562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CCCCS(=O)(=O)NCC#CCCCC(=O)OC)OC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CCCCS(=O)(=O)NCC#CCCCC(=O)OC)OC(=O)C

InChI

InChI=1S/C23H33NO7S/c1-19-11-10-13-21(17-19)30-18-22(31-20(2)25)12-7-9-16-32(27,28)24-15-8-5-4-6-14-23(26)29-3/h10-11,13,17,22,24H,4,6-7,9,12,14-16,18H2,1-3H3