[3-[[butan-2-yl-[2-(4-methoxyphenyl)ethanoyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[butan-2-yl-[2-(4-methoxyphenyl)ethanoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[[2-(4-methoxyphenyl)acetyl]-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[butan-2-yl-[2-(4-methoxyphenyl)-1-oxoethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[[2-(4-methoxyphenyl)acetyl]-sec-butyl-amino]methyl]phenyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H29NO5S/c1-5-17(3)23(22(24)15-18-10-12-20(27-4)13-11-18)16-19-8-7-9-21(14-19)28-29(25,26)6-2/h7-14,17H,5-6,15-16H2,1-4H3