[3-[[butan-2-yl-[(3-fluorophenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[butan-2-yl-[(3-fluorophenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(3-fluorophenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[butan-2-yl-[(3-fluoroanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-[(3-fluorophenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(3-fluorophenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ester Formula: C19H23FN2O4S MolecularWeight: 394.460323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C19H23FN2O4S/c1-4-14(2)22(19(23)21-17-9-6-8-16(20)12-17)13-15-7-5-10-18(11-15)26-27(3,24)25/h5-12,14H,4,13H2,1-3H3,(H,21,23)