2-(4-fluorophenyl)ethanamine; 2-[2-(4-fluorophenyl)ethylcarbamoyl]benzenesulfinic acid

Systemtic Name: 2-(4-fluorophenyl)ethanamine; 2-[2-(4-fluorophenyl)ethylcarbamoyl]benzenesulfinic acid Openeye Name: 2-(4-fluorophenyl)ethanamine; 2-[2-(4-fluorophenyl)ethylcarbamoyl]benzenesulfinic acid CAS Name: 2-(4-fluorophenyl)ethanamine; 2-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]benzenesulfinic acid IUPAC Name: 2-(4-fluorophenyl)ethanamine; 2-[2-(4-fluorophenyl)ethylcarbamoyl]benzenesulfinic acid Traditional Name: 2-(4-fluorophenyl)ethylamine; 2-[2-(4-fluorophenyl)ethylcarbamoyl]benzenesulfinic acid Formula: C23H24F2N2O3S MolecularWeight: 446.510066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)F)S(=O)O.C1=CC(=CC=C1CCN)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)F)S(=O)O.C1=CC(=CC=C1CCN)F

InChI

InChI=1S/C15H14FNO3S.C8H10FN/c16-12-7-5-11(6-8-12)9-10-17-15(18)13-3-1-2-4-14(13)21(19)20;9-8-3-1-7(2-4-8)5-6-10/h1-8H,9-10H2,(H,17,18)(H,19,20);1-4H,5-6,10H2