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

Systemtic Name: N1,N4,N4-trimethyl-2-nitro-N1-[(2-pyrrolidin-1-ylphenyl)methyl]benzene-1,4-disulfonamide Openeye Name: N1,N4,N4-trimethyl-2-nitro-N1-[(2-pyrrolidin-1-ylphenyl)methyl]benzene-1,4-disulfonamide CAS Name: N1,N4,N4-trimethyl-2-nitro-N1-[[2-(1-pyrrolidinyl)phenyl]methyl]benzene-1,4-disulfonamide IUPAC Name: 1-N,4-N,4-N-trimethyl-2-nitro-1-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzene-1,4-disulfonamide Traditional Name: N,N',N'-trimethyl-2-nitro-N-(2-pyrrolidinobenzyl)benzene-1,4-disulfonamide Formula: C20H26N4O6S2 MolecularWeight: 482.57364

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O6S2/c1-21(2)31(27,28)17-10-11-20(19(14-17)24(25)26)32(29,30)22(3)15-16-8-4-5-9-18(16)23-12-6-7-13-23/h4-5,8-11,14H,6-7,12-13,15H2,1-3H3