6-chloranyl-1-[3-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]propyl]-3-oxidanylidene-1,2-dihydroisoindole-5-sulfonamide

Systemtic Name: 6-chloranyl-1-[3-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]propyl]-3-oxidanylidene-1,2-dihydroisoindole-5-sulfonamide Openeye Name: 6-chloro-1-[3-[4-(3-cyano-2-pyridyl)piperazin-1-yl]propyl]-3-oxo-isoindoline-5-sulfonamide CAS Name: 6-chloro-1-[3-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]propyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide IUPAC Name: 6-chloro-1-[3-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]propyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide Traditional Name: 6-chloro-1-[3-[4-(3-cyano-2-pyridyl)piperazino]propyl]-3-keto-isoindoline-5-sulfonamide Formula: C21H23ClN6O3S MolecularWeight: 474.96372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2C3=CC(=C(C=C3C(=O)N2)S(=O)(=O)N)Cl)C4=C(C=CC=N4)C#N

Isomeric SMILES

C1CN(CCN1CCCC2C3=CC(=C(C=C3C(=O)N2)S(=O)(=O)N)Cl)C4=C(C=CC=N4)C#N

InChI

InChI=1S/C21H23ClN6O3S/c22-17-11-15-16(12-19(17)32(24,30)31)21(29)26-18(15)4-2-6-27-7-9-28(10-8-27)20-14(13-23)3-1-5-25-20/h1,3,5,11-12,18H,2,4,6-10H2,(H,26,29)(H2,24,30,31)