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

Systemtic Name: N4,N4-diethyl-N1-[(2-pyrrolidin-1-ylphenyl)methyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-[(2-pyrrolidin-1-ylphenyl)methyl]benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-[[2-(1-pyrrolidinyl)phenyl]methyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-(2-pyrrolidinobenzyl)benzene-1,4-disulfonamide Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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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=C2N3CCCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2N3CCCC3

InChI

InChI=1S/C21H29N3O4S2/c1-3-24(4-2)30(27,28)20-13-11-19(12-14-20)29(25,26)22-17-18-9-5-6-10-21(18)23-15-7-8-16-23/h5-6,9-14,22H,3-4,7-8,15-17H2,1-2H3