N-[2,6-dimethyl-3-[4-(phenylcarbonyl)piperazin-1-yl]sulfonyl-phenyl]methanesulfonamide

Systemtic Name: N-[2,6-dimethyl-3-[4-(phenylcarbonyl)piperazin-1-yl]sulfonyl-phenyl]methanesulfonamide Openeye Name: N-[3-(4-benzoylpiperazin-1-yl)sulfonyl-2,6-dimethyl-phenyl]methanesulfonamide CAS Name: N-[3-[(4-benzoyl-1-piperazinyl)sulfonyl]-2,6-dimethylphenyl]methanesulfonamide IUPAC Name: N-[3-(4-benzoylpiperazin-1-yl)sulfonyl-2,6-dimethylphenyl]methanesulfonamide Traditional Name: N-[3-(4-benzoylpiperazino)sulfonyl-2,6-dimethyl-phenyl]methanesulfonamide Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S2/c1-15-9-10-18(16(2)19(15)21-29(3,25)26)30(27,28)23-13-11-22(12-14-23)20(24)17-7-5-4-6-8-17/h4-10,21H,11-14H2,1-3H3