6-chloranyl-2-[3-[methyl-(phenylmethyl)amino]propyl]-3-oxidanylidene-1H-isoindole-5-sulfonamide

Systemtic Name: 6-chloranyl-2-[3-[methyl-(phenylmethyl)amino]propyl]-3-oxidanylidene-1H-isoindole-5-sulfonamide Openeye Name: 2-[3-[benzyl(methyl)amino]propyl]-6-chloro-3-oxo-isoindoline-5-sulfonamide CAS Name: 6-chloro-2-[3-[methyl-(phenylmethyl)amino]propyl]-3-oxo-1H-isoindole-5-sulfonamide IUPAC Name: 2-[3-[benzyl(methyl)amino]propyl]-6-chloro-3-oxo-1H-isoindole-5-sulfonamide Traditional Name: 2-[3-[benzyl(methyl)amino]propyl]-6-chloro-3-keto-isoindoline-5-sulfonamide Formula: C19H22ClN3O3S MolecularWeight: 407.91428

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CC2=CC(=C(C=C2C1=O)S(=O)(=O)N)Cl)CC3=CC=CC=C3

Isomeric SMILES

CN(CCCN1CC2=CC(=C(C=C2C1=O)S(=O)(=O)N)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C19H22ClN3O3S/c1-22(12-14-6-3-2-4-7-14)8-5-9-23-13-15-10-17(20)18(27(21,25)26)11-16(15)19(23)24/h2-4,6-7,10-11H,5,8-9,12-13H2,1H3,(H2,21,25,26)