2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-methyl-1,3-dioxo-N-[1-(p-tolylsulfonyl)-4-piperidyl]isoindoline-5-carboxamide CAS Name: 2-methyl-N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 1,3-diketo-2-methyl-N-(1-tosyl-4-piperidyl)isoindoline-5-carboxamide 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)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=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)25-11-9-16(10-12-25)23-20(26)15-5-8-18-19(13-15)22(28)24(2)21(18)27/h3-8,13,16H,9-12H2,1-2H3,(H,23,26)