4-[(4-fluorophenyl)methylamino]butan-2-one; methylsulfonylbenzene

Systemtic Name: 4-[(4-fluorophenyl)methylamino]butan-2-one; methylsulfonylbenzene Openeye Name: 4-[(4-fluorophenyl)methylamino]butan-2-one; methylsulfonylbenzene CAS Name: 4-[(4-fluorophenyl)methylamino]-2-butanone; methylsulfonylbenzene IUPAC Name: 4-[(4-fluorophenyl)methylamino]butan-2-one; methylsulfonylbenzene Traditional Name: 4-[(4-fluorobenzyl)amino]butan-2-one; mesylbenzene Formula: C18H22FNO3S MolecularWeight: 351.435583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCNCC1=CC=C(C=C1)F.CS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=O)CCNCC1=CC=C(C=C1)F.CS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C11H14FNO.C7H8O2S/c1-9(14)6-7-13-8-10-2-4-11(12)5-3-10;1-10(8,9)7-5-3-2-4-6-7/h2-5,13H,6-8H2,1H3;2-6H,1H3