5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbonyl-2-(pyridin-4-ylmethyl)isoindole-1,3-dione

Systemtic Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbonyl-2-(pyridin-4-ylmethyl)isoindole-1,3-dione Openeye Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]-2-(4-pyridylmethyl)isoindoline-1,3-dione CAS Name: 5-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione IUPAC Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione Traditional Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]-2-(4-pyridylmethyl)isoindoline-1,3-quinone Formula: C29H30N4O5S MolecularWeight: 546.6373

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=NC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=NC=C5

InChI

InChI=1S/C29H30N4O5S/c1-29(2,3)22-5-7-23(8-6-22)39(37,38)32-16-14-31(15-17-32)26(34)21-4-9-24-25(18-21)28(36)33(27(24)35)19-20-10-12-30-13-11-20/h4-13,18H,14-17,19H2,1-3H3