4-(2,4-dimethylphenyl)sulfonyl-N-[[3-(methylsulfonylamino)phenyl]methyl]piperazine-1-carboxamide

Systemtic Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[[3-(methylsulfonylamino)phenyl]methyl]piperazine-1-carboxamide Openeye Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[[3-(methanesulfonamido)phenyl]methyl]piperazine-1-carboxamide CAS Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[[3-(methanesulfonamido)phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[[3-(methanesulfonamido)phenyl]methyl]piperazine-1-carboxamide Traditional Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[3-(methanesulfonamido)benzyl]piperazine-1-carboxamide Formula: C21H28N4O5S2 MolecularWeight: 480.60082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=CC=C3)NS(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=CC=C3)NS(=O)(=O)C)C

InChI

InChI=1S/C21H28N4O5S2/c1-16-7-8-20(17(2)13-16)32(29,30)25-11-9-24(10-12-25)21(26)22-15-18-5-4-6-19(14-18)23-31(3,27)28/h4-8,13-14,23H,9-12,15H2,1-3H3,(H,22,26)