[5-[[2-(4-chloranylphenoxy)ethanoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[2-(4-chloranylphenoxy)ethanoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[[2-(4-chlorophenoxy)acetyl]-isopropyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[2-(4-chlorophenoxy)-1-oxoethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[[2-(4-chlorophenoxy)acetyl]-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C21H26ClNO6S MolecularWeight: 455.95224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClNO6S/c1-5-30(25,26)29-20-12-16(6-11-19(20)27-4)13-23(15(2)3)21(24)14-28-18-9-7-17(22)8-10-18/h6-12,15H,5,13-14H2,1-4H3