methyl 7-[[4-acetyloxy-5-[3-(dimethylamino)phenoxy]pentyl]-methylsulfonyl-amino]hept-5-ynoate

Systemtic Name: methyl 7-[[4-acetyloxy-5-[3-(dimethylamino)phenoxy]pentyl]-methylsulfonyl-amino]hept-5-ynoate Openeye Name: methyl 7-[[4-acetoxy-5-[3-(dimethylamino)phenoxy]pentyl]-methylsulfonyl-amino]hept-5-ynoate CAS Name: 7-[[4-acetyloxy-5-[3-(dimethylamino)phenoxy]pentyl]-methylsulfonylamino]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[[4-acetyloxy-5-[3-(dimethylamino)phenoxy]pentyl]-methylsulfonylamino]hept-5-ynoate Traditional Name: 7-[[4-acetoxy-5-[3-(dimethylamino)phenoxy]pentyl]-mesyl-amino]hept-5-ynoic acid methyl ester Formula: C24H36N2O7S MolecularWeight: 496.61684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCN(CC#CCCCC(=O)OC)S(=O)(=O)C)COC1=CC=CC(=C1)N(C)C

Isomeric SMILES

CC(=O)OC(CCCN(CC#CCCCC(=O)OC)S(=O)(=O)C)COC1=CC=CC(=C1)N(C)C

InChI

InChI=1S/C24H36N2O7S/c1-20(27)33-23(19-32-22-13-10-12-21(18-22)25(2)3)14-11-17-26(34(5,29)30)16-9-7-6-8-15-24(28)31-4/h10,12-13,18,23H,6,8,11,14-17,19H2,1-5H3