N-[[4-bromanyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-2-methylsulfonyl-ethanamine

Systemtic Name: N-[[4-bromanyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-2-methylsulfonyl-ethanamine Openeye Name: N-[[1-(benzenesulfonyl)-4-bromo-pyrrolo[2,3-b]pyridin-2-yl]methyl]-2-methylsulfonyl-ethanamine CAS Name: N-[[1-(benzenesulfonyl)-4-bromo-2-pyrrolo[2,3-b]pyridinyl]methyl]-2-methylsulfonylethanamine IUPAC Name: N-[[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]methyl]-2-methylsulfonylethanamine Traditional Name: (1-besyl-4-bromo-pyrrolo[2,3-b]pyridin-2-yl)methyl-(2-mesylethyl)amine Formula: C17H18BrN3O4S2 MolecularWeight: 472.37652

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=CC2=C(C=CN=C2N1S(=O)(=O)C3=CC=CC=C3)Br

Isomeric SMILES

CS(=O)(=O)CCNCC1=CC2=C(C=CN=C2N1S(=O)(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C17H18BrN3O4S2/c1-26(22,23)10-9-19-12-13-11-15-16(18)7-8-20-17(15)21(13)27(24,25)14-5-3-2-4-6-14/h2-8,11,19H,9-10,12H2,1H3