ethyl 7-[[5-[3-(dimethylamino)phenoxy]-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoate

Systemtic Name: ethyl 7-[[5-[3-(dimethylamino)phenoxy]-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoate Openeye Name: ethyl 7-[[5-[3-(dimethylamino)phenoxy]-4-hydroxy-pentyl]-methylsulfonyl-amino]heptanoate CAS Name: 7-[[5-[3-(dimethylamino)phenoxy]-4-hydroxypentyl]-methylsulfonylamino]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[[5-[3-(dimethylamino)phenoxy]-4-hydroxypentyl]-methylsulfonylamino]heptanoate Traditional Name: 7-[[5-[3-(dimethylamino)phenoxy]-4-hydroxy-pentyl]-mesyl-amino]enanthic acid ethyl ester Formula: C23H40N2O6S MolecularWeight: 472.6385

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCN(CCCC(COC1=CC=CC(=C1)N(C)C)O)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCCCCCN(CCCC(COC1=CC=CC(=C1)N(C)C)O)S(=O)(=O)C

InChI

InChI=1S/C23H40N2O6S/c1-5-30-23(27)15-8-6-7-9-16-25(32(4,28)29)17-11-13-21(26)19-31-22-14-10-12-20(18-22)24(2)3/h10,12,14,18,21,26H,5-9,11,13,15-17,19H2,1-4H3