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

Systemtic Name: [3-[[(4-phenylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isopropyl-(4-phenylbenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[oxo-(4-phenylphenyl)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isopropyl-(4-phenylbenzoyl)amino]methyl]phenyl] ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO4S/c1-4-31(28,29)30-24-12-8-9-20(17-24)18-26(19(2)3)25(27)23-15-13-22(14-16-23)21-10-6-5-7-11-21/h5-17,19H,4,18H2,1-3H3