2-[3-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine dihydrochloride

Systemtic Name: 2-[3-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine dihydrochloride Openeye Name: 2-[3-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridin-1-yl]ethanamine dihydrochloride CAS Name: 2-[3-(4-methylphenyl)sulfonyl-1-pyrrolo[2,3-b]pyridinyl]ethanamine dihydrochloride IUPAC Name: 2-[3-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine dihydrochloride Traditional Name: 2-(3-tosylpyrrolo[2,3-b]pyridin-1-yl)ethylamine dihydrochloride Formula: C16H19Cl2N3O2S MolecularWeight: 388.31196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=C2C=CC=N3)CCN.Cl.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=C2C=CC=N3)CCN.Cl.Cl

InChI

InChI=1S/C16H17N3O2S.2ClH/c1-12-4-6-13(7-5-12)22(20,21)15-11-19(10-8-17)16-14(15)3-2-9-18-16;;/h2-7,9,11H,8,10,17H2,1H3;2*1H