6-chloranyl-2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,3-bis(oxidanylidene)isoindole-5-sulfonamide

Systemtic Name: 6-chloranyl-2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,3-bis(oxidanylidene)isoindole-5-sulfonamide Openeye Name: 6-chloro-2-[1-(o-tolylmethyl)-4-piperidyl]-1,3-dioxo-isoindoline-5-sulfonamide CAS Name: 6-chloro-2-[1-[(2-methylphenyl)methyl]-4-piperidinyl]-1,3-dioxo-5-isoindolesulfonamide IUPAC Name: 6-chloro-2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,3-dioxoisoindole-5-sulfonamide Traditional Name: 6-chloro-1,3-diketo-2-[1-(2-methylbenzyl)-4-piperidyl]isoindoline-5-sulfonamide Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCC(CC2)N3C(=O)C4=CC(=C(C=C4C3=O)Cl)S(=O)(=O)N

Isomeric SMILES

CC1=CC=CC=C1CN2CCC(CC2)N3C(=O)C4=CC(=C(C=C4C3=O)Cl)S(=O)(=O)N

InChI

InChI=1S/C21H22ClN3O4S/c1-13-4-2-3-5-14(13)12-24-8-6-15(7-9-24)25-20(26)16-10-18(22)19(30(23,28)29)11-17(16)21(25)27/h2-5,10-11,15H,6-9,12H2,1H3,(H2,23,28,29)