N4,N4-dimethyl-N1-[2-propoxy-5-(trifluoromethyl)phenyl]benzene-1,4-disulfonamide

Systemtic Name: N4,N4-dimethyl-N1-[2-propoxy-5-(trifluoromethyl)phenyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-dimethyl-N1-[2-propoxy-5-(trifluoromethyl)phenyl]benzene-1,4-disulfonamide CAS Name: N4,N4-dimethyl-N1-[2-propoxy-5-(trifluoromethyl)phenyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-dimethyl-1-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzene-1,4-disulfonamide Traditional Name: N',N'-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzene-1,4-disulfonamide Formula: C18H21F3N2O5S2 MolecularWeight: 466.49495

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C18H21F3N2O5S2/c1-4-11-28-17-10-5-13(18(19,20)21)12-16(17)22-29(24,25)14-6-8-15(9-7-14)30(26,27)23(2)3/h5-10,12,22H,4,11H2,1-3H3