[5-[[(3-fluorophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [5-[[(3-fluorophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[[(3-fluorobenzoyl)-(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[[[(3-fluorophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3-fluorobenzoyl)-(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[(3-fluorobenzoyl)-(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C28H25FN2O7S MolecularWeight: 552.570703

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CN(CC3=CC=CO3)C(=O)C4=CC(=CC=C4)F)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CN(CC3=CC=CO3)C(=O)C4=CC(=CC=C4)F)OC

InChI

InChI=1S/C28H25FN2O7S/c1-19(32)30-23-9-11-25(12-10-23)39(34,35)38-27-15-20(8-13-26(27)36-2)17-31(18-24-7-4-14-37-24)28(33)21-5-3-6-22(29)16-21/h3-16H,17-18H2,1-2H3,(H,30,32)