[(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-pyridin-2-yl-methanone

Systemtic Name: [(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-pyridin-2-yl-methanone Openeye Name: [(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-(2-pyridyl)methanone CAS Name: [(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)-1-piperazinyl]-(2-pyridinyl)methanone IUPAC Name: [(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone Traditional Name: [(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazino]-(2-pyridyl)methanone Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CNC3=C2C=CC=N3)C(=O)C4=CC=CC=N4

Isomeric SMILES

C[C@@H]1CN(CCN1S(=O)(=O)C2=CNC3=C2C=CC=N3)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C18H19N5O3S/c1-13-12-22(18(24)15-6-2-3-7-19-15)9-10-23(13)27(25,26)16-11-21-17-14(16)5-4-8-20-17/h2-8,11,13H,9-10,12H2,1H3,(H,20,21)/t13-/m1/s1