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

Systemtic Name: N1,N4,N4-trimethyl-2-nitro-N1-[(4-piperidin-1-ylphenyl)methyl]benzene-1,4-disulfonamide Openeye Name: N1,N4,N4-trimethyl-2-nitro-N1-[[4-(1-piperidyl)phenyl]methyl]benzene-1,4-disulfonamide CAS Name: N1,N4,N4-trimethyl-2-nitro-N1-[[4-(1-piperidinyl)phenyl]methyl]benzene-1,4-disulfonamide IUPAC Name: 1-N,4-N,4-N-trimethyl-2-nitro-1-N-[(4-piperidin-1-ylphenyl)methyl]benzene-1,4-disulfonamide Traditional Name: N,N',N'-trimethyl-2-nitro-N-(4-piperidinobenzyl)benzene-1,4-disulfonamide Formula: C21H28N4O6S2 MolecularWeight: 496.60022

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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=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O6S2/c1-22(2)32(28,29)19-11-12-21(20(15-19)25(26)27)33(30,31)23(3)16-17-7-9-18(10-8-17)24-13-5-4-6-14-24/h7-12,15H,4-6,13-14,16H2,1-3H3