[3-[[butan-2-yl-(4-butoxyphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[butan-2-yl-(4-butoxyphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-butoxybenzoyl)-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[butan-2-yl-[(4-butoxyphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(4-butoxybenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-butoxybenzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C24H33NO5S MolecularWeight: 447.58752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)CC)C(C)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)CC)C(C)CC

InChI

InChI=1S/C24H33NO5S/c1-5-8-16-29-22-14-12-21(13-15-22)24(26)25(19(4)6-2)18-20-10-9-11-23(17-20)30-31(27,28)7-3/h9-15,17,19H,5-8,16,18H2,1-4H3