[5-[[(4-tert-butylphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[(4-tert-butylphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(4-tert-butylbenzoyl)-(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(4-tert-butylphenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-tert-butylbenzoyl)-(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(4-tert-butylbenzoyl)-(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C30H30FNO6S MolecularWeight: 551.625703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30FNO6S/c1-30(2,3)23-10-8-22(9-11-23)29(33)32(20-25-6-5-17-37-25)19-21-7-16-27(36-4)28(18-21)38-39(34,35)26-14-12-24(31)13-15-26/h5-18H,19-20H2,1-4H3