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

Systemtic Name: [5-[[butan-2-yl-(2-methoxyphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [2-methoxy-5-[[(2-methoxybenzoyl)-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-[(2-methoxyphenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(2-methoxybenzoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-methoxy-5-[[o-anisoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)C2=CC=CC=C2OC

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C22H29NO6S/c1-6-16(3)23(22(24)18-10-8-9-11-19(18)27-4)15-17-12-13-20(28-5)21(14-17)29-30(25,26)7-2/h8-14,16H,6-7,15H2,1-5H3