6-chloranyl-2-[3-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]propyl]-3-oxidanylidene-1H-isoindole-5-sulfonamide hydrochloride

Systemtic Name: 6-chloranyl-2-[3-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]propyl]-3-oxidanylidene-1H-isoindole-5-sulfonamide hydrochloride Openeye Name: 6-chloro-2-[3-[4-(3-cyano-2-pyridyl)piperazin-1-yl]propyl]-3-oxo-isoindoline-5-sulfonamide hydrochloride CAS Name: 6-chloro-2-[3-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]propyl]-3-oxo-1H-isoindole-5-sulfonamide hydrochloride IUPAC Name: 6-chloro-2-[3-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]propyl]-3-oxo-1H-isoindole-5-sulfonamide hydrochloride Traditional Name: 6-chloro-2-[3-[4-(3-cyano-2-pyridyl)piperazino]propyl]-3-keto-isoindoline-5-sulfonamide hydrochloride Formula: C21H24Cl2N6O3S MolecularWeight: 511.42466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2CC3=CC(=C(C=C3C2=O)S(=O)(=O)N)Cl)C4=C(C=CC=N4)C#N.Cl

Isomeric SMILES

C1CN(CCN1CCCN2CC3=CC(=C(C=C3C2=O)S(=O)(=O)N)Cl)C4=C(C=CC=N4)C#N.Cl

InChI

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