4-methyl-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 4-methyl-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-methyl-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]benzenesulfonamide CAS Name: 4-methyl-3-[oxo-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 4-methyl-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]benzenesulfonamide Traditional Name: 3-(4-mesitylsulfonylpiperazine-1-carbonyl)-4-methyl-benzenesulfonamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C21H27N3O5S2/c1-14-11-16(3)20(17(4)12-14)31(28,29)24-9-7-23(8-10-24)21(25)19-13-18(30(22,26)27)6-5-15(19)2/h5-6,11-13H,7-10H2,1-4H3,(H2,22,26,27)