[2-methoxy-5-[[2-methoxyethyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl-(4-phenylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl-[oxo-(4-phenylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl-(4-phenylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl-(4-phenylbenzoyl)amino]methyl]phenyl] ester Formula: C30H28FNO6S MolecularWeight: 549.609823

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H28FNO6S/c1-36-19-18-32(30(33)25-11-9-24(10-12-25)23-6-4-3-5-7-23)21-22-8-17-28(37-2)29(20-22)38-39(34,35)27-15-13-26(31)14-16-27/h3-17,20H,18-19,21H2,1-2H3