N-(3,5-dimethylphenyl)-N-[2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-(3,5-dimethylphenyl)-N-[2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-(3,5-dimethylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-(3,5-dimethylphenyl)-N-[2-(4-formyl-1-piperazinyl)-2-oxoethyl]-4-methylbenzenesulfonamide IUPAC Name: N-(3,5-dimethylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide Traditional Name: N-(3,5-dimethylphenyl)-N-[2-(4-formylpiperazino)-2-keto-ethyl]-4-methyl-benzenesulfonamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-17-4-6-21(7-5-17)30(28,29)25(20-13-18(2)12-19(3)14-20)15-22(27)24-10-8-23(16-26)9-11-24/h4-7,12-14,16H,8-11,15H2,1-3H3