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

Systemtic Name: [2-methoxy-5-[[(4-phenylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isopropyl-(4-phenylbenzoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[[oxo-(4-phenylphenyl)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isopropyl-(4-phenylbenzoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H29NO5S MolecularWeight: 467.57716

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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)C3=CC=CC=C3)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C(C)C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C26H29NO5S/c1-5-33(29,30)32-25-17-20(11-16-24(25)31-4)18-27(19(2)3)26(28)23-14-12-22(13-15-23)21-9-7-6-8-10-21/h6-17,19H,5,18H2,1-4H3