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

Systemtic Name: [4-[[(3-methoxyphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isopropyl-(3-methoxybenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(3-methoxyphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(3-methoxybenzoyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isopropyl(m-anisoyl)amino]methyl]phenyl] ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO5S/c1-5-27(23,24)26-18-11-9-16(10-12-18)14-21(15(2)3)20(22)17-7-6-8-19(13-17)25-4/h6-13,15H,5,14H2,1-4H3