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

Systemtic Name: [2-methoxy-5-[[2-methylpropyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isobutyl-(4-phenylbenzoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[2-methylpropyl-[oxo-(4-phenylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl-(4-phenylbenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl-(4-phenylbenzoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C27H31NO5S MolecularWeight: 481.60374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H31NO5S/c1-5-34(30,31)33-26-17-21(11-16-25(26)32-4)19-28(18-20(2)3)27(29)24-14-12-23(13-15-24)22-9-7-6-8-10-22/h6-17,20H,5,18-19H2,1-4H3