2-(3-methoxypropyl)-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]isoindole-1,3-dione

Systemtic Name: 2-(3-methoxypropyl)-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]isoindole-1,3-dione Openeye Name: 2-(3-methoxypropyl)-5-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-(3-methoxypropyl)-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-(3-methoxypropyl)-5-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-(3-methoxypropyl)-5-(4-tosyl-1,4-diazepane-1-carbonyl)isoindoline-1,3-quinone Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCCOC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCCOC

InChI

InChI=1S/C25H29N3O6S/c1-18-5-8-20(9-6-18)35(32,33)27-12-3-11-26(14-15-27)23(29)19-7-10-21-22(17-19)25(31)28(24(21)30)13-4-16-34-2/h5-10,17H,3-4,11-16H2,1-2H3