N-[4-[(3R)-3-azanylpiperidin-1-yl]-5-bromanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylsulfonyl-ethanamide

Systemtic Name: N-[4-[(3R)-3-azanylpiperidin-1-yl]-5-bromanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylsulfonyl-ethanamide Openeye Name: N-[4-[(3R)-3-amino-1-piperidyl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylsulfonyl-acetamide CAS Name: N-[4-[(3R)-3-amino-1-piperidinyl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylsulfonylacetamide IUPAC Name: N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylsulfonylacetamide Traditional Name: N-[4-[(3R)-3-aminopiperidino]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-mesyl-acetamide Formula: C15H20BrN5O3S MolecularWeight: 430.32

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(=O)NC1=CNC2=NC=C(C(=C12)N3CCCC(C3)N)Br

Isomeric SMILES

CS(=O)(=O)CC(=O)NC1=CNC2=NC=C(C(=C12)N3CCC[C@H](C3)N)Br

InChI

InChI=1S/C15H20BrN5O3S/c1-25(23,24)8-12(22)20-11-6-19-15-13(11)14(10(16)5-18-15)21-4-2-3-9(17)7-21/h5-6,9H,2-4,7-8,17H2,1H3,(H,18,19)(H,20,22)/t9-/m1/s1