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

Systemtic Name: [(3R)-3-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-phenyl-methanone Openeye Name: [(3R)-3-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-phenyl-methanone CAS Name: [(3R)-3-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)-1-piperazinyl]-phenylmethanone IUPAC Name: [(3R)-3-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-phenylmethanone Traditional Name: [(3R)-3-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazino]-phenyl-methanone Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1S(=O)(=O)C2=CNC3=C2C=CC=N3)C(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-2-16-14-23(20(25)15-7-4-3-5-8-15)11-12-24(16)28(26,27)18-13-22-19-17(18)9-6-10-21-19/h3-10,13,16H,2,11-12,14H2,1H3,(H,21,22)/t16-/m1/s1