2-cyclohexyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-cyclohexyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-cyclohexyl-5-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-cyclohexyl-5-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-cyclohexyl-5-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-cyclohexyl-5-(4-tosylpiperazine-1-carbonyl)isoindoline-1,3-quinone Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5CCCCC5

InChI

InChI=1S/C26H29N3O5S/c1-18-7-10-21(11-8-18)35(33,34)28-15-13-27(14-16-28)24(30)19-9-12-22-23(17-19)26(32)29(25(22)31)20-5-3-2-4-6-20/h7-12,17,20H,2-6,13-16H2,1H3