N4,N4-diethyl-N1-methyl-N1-[(2-pyrrolidin-1-ylphenyl)methyl]benzene-1,4-disulfonamide

Systemtic Name: N4,N4-diethyl-N1-methyl-N1-[(2-pyrrolidin-1-ylphenyl)methyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-methyl-N1-[(2-pyrrolidin-1-ylphenyl)methyl]benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-methyl-N1-[[2-(1-pyrrolidinyl)phenyl]methyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-methyl-1-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-methyl-N-(2-pyrrolidinobenzyl)benzene-1,4-disulfonamide Formula: C22H31N3O4S2 MolecularWeight: 465.62924

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2N3CCCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2N3CCCC3

InChI

InChI=1S/C22H31N3O4S2/c1-4-25(5-2)31(28,29)21-14-12-20(13-15-21)30(26,27)23(3)18-19-10-6-7-11-22(19)24-16-8-9-17-24/h6-7,10-15H,4-5,8-9,16-18H2,1-3H3