[5-[[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(4-ethoxyphenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-[(4-ethoxyanilino)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[p-phenetylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C27H31FN2O6S MolecularWeight: 530.608243

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C27H31FN2O6S/c1-5-19(3)30(27(31)29-22-10-12-23(13-11-22)35-6-2)18-20-7-16-25(34-4)26(17-20)36-37(32,33)24-14-8-21(28)9-15-24/h7-17,19H,5-6,18H2,1-4H3,(H,29,31)