[5-[[butanoyl(butan-2-yl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[butanoyl(butan-2-yl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[butanoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl(1-oxobutyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butanoyl(butan-2-yl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[butyryl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H29NO5S MolecularWeight: 371.49156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(C)CC

Isomeric SMILES

CCCC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(C)CC

InChI

InChI=1S/C18H29NO5S/c1-6-9-18(20)19(14(4)7-2)13-15-10-11-16(23-5)17(12-15)24-25(21,22)8-3/h10-12,14H,6-9,13H2,1-5H3