[5-[[furan-2-ylmethyl-[(3-methylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[furan-2-ylmethyl-[(3-methylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[2-furylmethyl(m-tolylcarbamoyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[2-furanylmethyl-[(3-methylanilino)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl-[(3-methylphenyl)carbamoyl]amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[2-furfuryl(m-tolylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C27H25FN2O6S MolecularWeight: 524.560603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

InChI

InChI=1S/C27H25FN2O6S/c1-19-5-3-6-22(15-19)29-27(31)30(18-23-7-4-14-35-23)17-20-8-13-25(34-2)26(16-20)36-37(32,33)24-11-9-21(28)10-12-24/h3-16H,17-18H2,1-2H3,(H,29,31)