3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide CAS Name: 3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: 3-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 3-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]sulfonylbenzenesulfonamide Formula: C20H27N3O6S2 MolecularWeight: 469.57488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)N)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)N)OC)OC

InChI

InChI=1S/C20H27N3O6S2/c1-15-11-19(28-2)20(29-3)12-16(15)14-22-7-9-23(10-8-22)31(26,27)18-6-4-5-17(13-18)30(21,24)25/h4-6,11-13H,7-10,14H2,1-3H3,(H2,21,24,25)