1-[6-(3-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]-N-(phenylmethyl)methanamine

Systemtic Name: 1-[6-(3-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]-N-(phenylmethyl)methanamine Openeye Name: N-benzyl-1-[6-(3-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine CAS Name: 1-[6-(3-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]-N-(phenylmethyl)methanamine IUPAC Name: N-benzyl-1-[6-(3-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine Traditional Name: benzyl-[[6-(3-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]amine Formula: C22H20FNO4S MolecularWeight: 413.461903

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=CC(=C3)F)CNCC4=CC=CC=C4

Isomeric SMILES

C1C(OC2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=CC(=C3)F)CNCC4=CC=CC=C4

InChI

InChI=1S/C22H20FNO4S/c23-17-7-4-8-19(11-17)29(25,26)20-9-10-21-22(12-20)28-18(15-27-21)14-24-13-16-5-2-1-3-6-16/h1-12,18,24H,13-15H2