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

Systemtic Name: [3-[[2-(4-chloranylphenoxy)ethanoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[[2-(4-chlorophenoxy)acetyl]-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[2-(4-chlorophenoxy)-1-oxoethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[[2-(4-chlorophenoxy)acetyl]-isopropyl-amino]methyl]phenyl] ester Formula: C20H24ClNO5S MolecularWeight: 425.92626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H24ClNO5S/c1-4-28(24,25)27-19-7-5-6-16(12-19)13-22(15(2)3)20(23)14-26-18-10-8-17(21)9-11-18/h5-12,15H,4,13-14H2,1-3H3