[4-[[butan-2-yl-(2,6-dimethoxyphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[butan-2-yl-(2,6-dimethoxyphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(2,6-dimethoxybenzoyl)-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[butan-2-yl-[(2,6-dimethoxyphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-(2,6-dimethoxybenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(2,6-dimethoxybenzoyl)-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)OS(=O)(=O)CC)C(=O)C2=C(C=CC=C2OC)OC

Isomeric SMILES

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

InChI

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