N4,N4-diethyl-N1-(4-methyl-3-sulfamoyl-phenyl)benzene-1,4-disulfonamide

Systemtic Name: N4,N4-diethyl-N1-(4-methyl-3-sulfamoyl-phenyl)benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-(4-methyl-3-sulfamoyl-phenyl)benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-(4-methyl-3-sulfamoylphenyl)benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-(4-methyl-3-sulfamoylphenyl)benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-(4-methyl-3-sulfamoyl-phenyl)benzene-1,4-disulfonamide Formula: C17H23N3O6S3 MolecularWeight: 461.57602

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N

InChI

InChI=1S/C17H23N3O6S3/c1-4-20(5-2)29(25,26)16-10-8-15(9-11-16)28(23,24)19-14-7-6-13(3)17(12-14)27(18,21)22/h6-12,19H,4-5H2,1-3H3,(H2,18,21,22)