2,5-dimethyl-N-[3-oxidanylidene-3-[4-(phenylcarbonyl)piperazin-1-yl]propyl]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[3-oxidanylidene-3-[4-(phenylcarbonyl)piperazin-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-(4-benzoylpiperazin-1-yl)-3-oxo-propyl]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[3-(4-benzoyl-1-piperazinyl)-3-oxopropyl]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[3-(4-benzoylpiperazino)-3-keto-propyl]-2,5-dimethyl-benzenesulfonamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-17-8-9-18(2)20(16-17)30(28,29)23-11-10-21(26)24-12-14-25(15-13-24)22(27)19-6-4-3-5-7-19/h3-9,16,23H,10-15H2,1-2H3