1-[5-(2-fluorophenyl)-1-(3-methylsulfonylphenyl)sulfonyl-pyrrol-3-yl]-N-methyl-methanamine

Systemtic Name: 1-[5-(2-fluorophenyl)-1-(3-methylsulfonylphenyl)sulfonyl-pyrrol-3-yl]-N-methyl-methanamine Openeye Name: 1-[5-(2-fluorophenyl)-1-(3-methylsulfonylphenyl)sulfonyl-pyrrol-3-yl]-N-methyl-methanamine CAS Name: 1-[5-(2-fluorophenyl)-1-(3-methylsulfonylphenyl)sulfonyl-3-pyrrolyl]-N-methylmethanamine IUPAC Name: 1-[5-(2-fluorophenyl)-1-(3-methylsulfonylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine Traditional Name: [5-(2-fluorophenyl)-1-(3-mesylphenyl)sulfonyl-pyrrol-3-yl]methyl-methyl-amine Formula: C19H19FN2O4S2 MolecularWeight: 422.493563

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CN(C(=C1)C2=CC=CC=C2F)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C

Isomeric SMILES

CNCC1=CN(C(=C1)C2=CC=CC=C2F)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C

InChI

InChI=1S/C19H19FN2O4S2/c1-21-12-14-10-19(17-8-3-4-9-18(17)20)22(13-14)28(25,26)16-7-5-6-15(11-16)27(2,23)24/h3-11,13,21H,12H2,1-2H3