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

Systemtic Name: [3-[[2-methoxyethyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl-(4-phenylbenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl-[oxo-(4-phenylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(4-phenylbenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl-(4-phenylbenzoyl)amino]methyl]phenyl] ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO5S/c1-3-32(28,29)31-24-11-7-8-20(18-24)19-26(16-17-30-2)25(27)23-14-12-22(13-15-23)21-9-5-4-6-10-21/h4-15,18H,3,16-17,19H2,1-2H3