N3,N3-dimethyl-N1-[2-(propylamino)-5-sulfamoyl-phenyl]benzene-1,3-disulfonamide

Systemtic Name: N3,N3-dimethyl-N1-[2-(propylamino)-5-sulfamoyl-phenyl]benzene-1,3-disulfonamide Openeye Name: N3,N3-dimethyl-N1-[2-(propylamino)-5-sulfamoyl-phenyl]benzene-1,3-disulfonamide CAS Name: N3,N3-dimethyl-N1-[2-(propylamino)-5-sulfamoylphenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N,3-N-dimethyl-1-N-[2-(propylamino)-5-sulfamoylphenyl]benzene-1,3-disulfonamide Traditional Name: N',N'-dimethyl-N-[2-(propylamino)-5-sulfamoyl-phenyl]benzene-1,3-disulfonamide Formula: C17H24N4O6S3 MolecularWeight: 476.59066

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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(=CC=C2)S(=O)(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O6S3/c1-4-10-19-16-9-8-13(28(18,22)23)12-17(16)20-29(24,25)14-6-5-7-15(11-14)30(26,27)21(2)3/h5-9,11-12,19-20H,4,10H2,1-3H3,(H2,18,22,23)