4-[4-[(4-fluorophenyl)methylamino]phenyl]butan-2-one; methanesulfinic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)NCC2=CC=C(C=C2)F.CS(=O)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)NCC2=CC=C(C=C2)F.CS(=O)O

InChI

InChI=1S/C17H18FNO.CH4O2S/c1-13(20)2-3-14-6-10-17(11-7-14)19-12-15-4-8-16(18)9-5-15;1-4(2)3/h4-11,19H,2-3,12H2,1H3;1H3,(H,2,3)