2-(4-azanyl-2-methyl-phenyl)-5-chloranyl-isoindole-1,3-dione; methanesulfonate

Systemtic Name: 2-(4-azanyl-2-methyl-phenyl)-5-chloranyl-isoindole-1,3-dione; methanesulfonate Openeye Name: 2-(4-amino-2-methyl-phenyl)-5-chloro-isoindoline-1,3-dione; methanesulfonate CAS Name: 2-(4-amino-2-methylphenyl)-5-chloroisoindole-1,3-dione; methanesulfonate IUPAC Name: 2-(4-amino-2-methylphenyl)-5-chloroisoindole-1,3-dione; methanesulfonate Traditional Name: 2-(4-amino-2-methyl-phenyl)-5-chloro-isoindoline-1,3-quinone mesylate Formula: C16H14ClN2O5S- MolecularWeight: 381.81076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)N2C(=O)C3=C(C2=O)C=C(C=C3)Cl.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N)N2C(=O)C3=C(C2=O)C=C(C=C3)Cl.CS(=O)(=O)[O-]

InChI

InChI=1S/C15H11ClN2O2.CH4O3S/c1-8-6-10(17)3-5-13(8)18-14(19)11-4-2-9(16)7-12(11)15(18)20;1-5(2,3)4/h2-7H,17H2,1H3;1H3,(H,2,3,4)/p-1