[4-[[butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(3-cyanophenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl-[(3-cyanoanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(3-cyanophenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ester Formula: C25H24FN3O4S MolecularWeight: 481.539163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24FN3O4S/c1-3-18(2)29(25(30)28-22-6-4-5-20(15-22)16-27)17-19-7-11-23(12-8-19)33-34(31,32)24-13-9-21(26)10-14-24/h4-15,18H,3,17H2,1-2H3,(H,28,30)