[5-[[butan-2-yl-[(3-ethylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[butan-2-yl-[(3-ethylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(3-ethylphenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-[(3-ethylanilino)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-[(3-ethylphenyl)carbamoyl]amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(3-ethylphenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C27H31FN2O5S MolecularWeight: 514.608843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F)C(C)CC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F)C(C)CC

InChI

InChI=1S/C27H31FN2O5S/c1-5-19(3)30(27(31)29-23-9-7-8-20(6-2)16-23)18-21-10-15-25(34-4)26(17-21)35-36(32,33)24-13-11-22(28)12-14-24/h7-17,19H,5-6,18H2,1-4H3,(H,29,31)