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

Systemtic Name: N-[1,3-bis(oxidanylidene)isoindol-4-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-dioxoisoindolin-4-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(1,3-dioxo-4-isoindolyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-dioxoisoindol-4-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-diketoisoindolin-4-yl)-1-tosyl-isonipecotamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC4=C3C(=O)NC4=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC4=C3C(=O)NC4=O

InChI

InChI=1S/C21H21N3O5S/c1-13-5-7-15(8-6-13)30(28,29)24-11-9-14(10-12-24)19(25)22-17-4-2-3-16-18(17)21(27)23-20(16)26/h2-8,14H,9-12H2,1H3,(H,22,25)(H,23,26,27)