[5-[[(4-chlorophenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[(4-chlorophenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(4-chlorobenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(4-chlorophenyl)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-chlorobenzoyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-chlorobenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C20H24ClNO5S MolecularWeight: 425.92626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClNO5S/c1-5-28(24,25)27-19-12-15(6-11-18(19)26-4)13-22(14(2)3)20(23)16-7-9-17(21)10-8-16/h6-12,14H,5,13H2,1-4H3