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

Systemtic Name: [3-[[2-(4-methoxyphenyl)ethanoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isopropyl-[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[2-(4-methoxyphenyl)-1-oxoethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[[2-(4-methoxyphenyl)acetyl]-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[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=CC(=C1)CN(C(C)C)C(=O)CC2=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

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