N3-[4-(2,5-dimethylphenyl)sulfanylphenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[4-(2,5-dimethylphenyl)sulfanylphenyl]benzene-1,3-disulfonamide Openeye Name: N3-[4-(2,5-dimethylphenyl)sulfanylphenyl]benzene-1,3-disulfonamide CAS Name: N3-[4-[(2,5-dimethylphenyl)thio]phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]benzene-1,3-disulfonamide Traditional Name: N'-[4-[(2,5-dimethylphenyl)thio]phenyl]benzene-1,3-disulfonamide Formula: C20H20N2O4S3 MolecularWeight: 448.5788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C20H20N2O4S3/c1-14-6-7-15(2)20(12-14)27-17-10-8-16(9-11-17)22-29(25,26)19-5-3-4-18(13-19)28(21,23)24/h3-13,22H,1-2H3,(H2,21,23,24)