N-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methyl-1,3-dioxo-isoindolin-5-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-methyl-1,3-dioxo-5-isoindolyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-diketo-2-methyl-isoindolin-5-yl)-1-tosyl-isonipecotamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)C(=O)N(C4=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)C(=O)N(C4=O)C

InChI

InChI=1S/C22H23N3O5S/c1-14-3-6-17(7-4-14)31(29,30)25-11-9-15(10-12-25)20(26)23-16-5-8-18-19(13-16)22(28)24(2)21(18)27/h3-8,13,15H,9-12H2,1-2H3,(H,23,26)