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

Systemtic Name: [4-[[2-(4-methoxyphenyl)ethanoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isopropyl-[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[2-(4-methoxyphenyl)-1-oxoethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[[2-(4-methoxyphenyl)acetyl]-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isopropyl-[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)C(=O)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)C(=O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H27NO5S/c1-5-28(24,25)27-20-12-8-18(9-13-20)15-22(16(2)3)21(23)14-17-6-10-19(26-4)11-7-17/h6-13,16H,5,14-15H2,1-4H3