N1-[[2-(dimethylaminomethyl)phenyl]methyl]-N4,N4-diethyl-benzene-1,4-disulfonamide

Systemtic Name: N1-[[2-(dimethylaminomethyl)phenyl]methyl]-N4,N4-diethyl-benzene-1,4-disulfonamide Openeye Name: N1-[[2-(dimethylaminomethyl)phenyl]methyl]-N4,N4-diethyl-benzene-1,4-disulfonamide CAS Name: N1-[[2-(dimethylaminomethyl)phenyl]methyl]-N4,N4-diethylbenzene-1,4-disulfonamide IUPAC Name: 1-N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-N,4-N-diethylbenzene-1,4-disulfonamide Traditional Name: N-[2-(dimethylaminomethyl)benzyl]-N',N'-diethyl-benzene-1,4-disulfonamide Formula: C20H29N3O4S2 MolecularWeight: 439.59196

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2CN(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2CN(C)C

InChI

InChI=1S/C20H29N3O4S2/c1-5-23(6-2)29(26,27)20-13-11-19(12-14-20)28(24,25)21-15-17-9-7-8-10-18(17)16-22(3)4/h7-14,21H,5-6,15-16H2,1-4H3