N3-[(4-fluorophenyl)methyl]-N1,N1-dimethyl-N3-pentyl-benzene-1,3-disulfonamide

Systemtic Name: N3-[(4-fluorophenyl)methyl]-N1,N1-dimethyl-N3-pentyl-benzene-1,3-disulfonamide Openeye Name: N3-[(4-fluorophenyl)methyl]-N1,N1-dimethyl-N3-pentyl-benzene-1,3-disulfonamide CAS Name: N3-[(4-fluorophenyl)methyl]-N1,N1-dimethyl-N3-pentylbenzene-1,3-disulfonamide IUPAC Name: 3-N-[(4-fluorophenyl)methyl]-1-N,1-N-dimethyl-3-N-pentylbenzene-1,3-disulfonamide Traditional Name: N'-amyl-N'-(4-fluorobenzyl)-N,N-dimethyl-benzene-1,3-disulfonamide Formula: C20H27FN2O4S2 MolecularWeight: 442.567783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=C(C=C1)F)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CCCCCN(CC1=CC=C(C=C1)F)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C20H27FN2O4S2/c1-4-5-6-14-23(16-17-10-12-18(21)13-11-17)29(26,27)20-9-7-8-19(15-20)28(24,25)22(2)3/h7-13,15H,4-6,14,16H2,1-3H3