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

Systemtic Name: [4-[[2-(4-chloranylphenoxy)ethanoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[[2-(4-chlorophenoxy)acetyl]-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[2-(4-chlorophenoxy)-1-oxoethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[[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=C(C=C1)CN(C(C)C)C(=O)COC2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

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