N3-[3-(dimethylsulfamoyl)-4-ethoxy-phenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[3-(dimethylsulfamoyl)-4-ethoxy-phenyl]benzene-1,3-disulfonamide Openeye Name: N3-[3-(dimethylsulfamoyl)-4-ethoxy-phenyl]benzene-1,3-disulfonamide CAS Name: N3-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzene-1,3-disulfonamide Traditional Name: N'-[3-(dimethylsulfamoyl)-4-ethoxy-phenyl]benzene-1,3-disulfonamide Formula: C16H21N3O7S3 MolecularWeight: 463.54884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)S(=O)(=O)N(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)S(=O)(=O)N(C)C

InChI

InChI=1S/C16H21N3O7S3/c1-4-26-15-9-8-12(10-16(15)29(24,25)19(2)3)18-28(22,23)14-7-5-6-13(11-14)27(17,20)21/h5-11,18H,4H2,1-3H3,(H2,17,20,21)