5-chloranyl-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-1,3-dihydroisoindole hydrochloride

Systemtic Name: 5-chloranyl-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-1,3-dihydroisoindole hydrochloride Openeye Name: 5-chloro-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-isoindoline hydrochloride CAS Name: 5-chloro-2-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]sulfonyl-1,3-dihydroisoindole hydrochloride IUPAC Name: 5-chloro-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-1,3-dihydroisoindole hydrochloride Traditional Name: 5-chloro-2-[4-methoxy-3-(4-methylpiperazino)phenyl]sulfonyl-isoindoline hydrochloride Formula: C20H25Cl2N3O3S MolecularWeight: 458.4018

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CC4=C(C3)C=C(C=C4)Cl)OC.Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CC4=C(C3)C=C(C=C4)Cl)OC.Cl

InChI

InChI=1S/C20H24ClN3O3S.ClH/c1-22-7-9-23(10-8-22)19-12-18(5-6-20(19)27-2)28(25,26)24-13-15-3-4-17(21)11-16(15)14-24;/h3-6,11-12H,7-10,13-14H2,1-2H3;1H