N1-methyl-N4-[2-(propylamino)-5-sulfamoyl-phenyl]benzene-1,4-disulfonamide

Systemtic Name: N1-methyl-N4-[2-(propylamino)-5-sulfamoyl-phenyl]benzene-1,4-disulfonamide Openeye Name: N1-methyl-N4-[2-(propylamino)-5-sulfamoyl-phenyl]benzene-1,4-disulfonamide CAS Name: N1-methyl-N4-[2-(propylamino)-5-sulfamoylphenyl]benzene-1,4-disulfonamide IUPAC Name: 1-N-methyl-4-N-[2-(propylamino)-5-sulfamoylphenyl]benzene-1,4-disulfonamide Traditional Name: N-methyl-N'-[2-(propylamino)-5-sulfamoyl-phenyl]benzene-1,4-disulfonamide Formula: C16H22N4O6S3 MolecularWeight: 462.56408

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC

Isomeric SMILES

CCCNC1=C(C=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC

InChI

InChI=1S/C16H22N4O6S3/c1-3-10-19-15-9-8-14(27(17,21)22)11-16(15)20-29(25,26)13-6-4-12(5-7-13)28(23,24)18-2/h4-9,11,18-20H,3,10H2,1-2H3,(H2,17,21,22)