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

Systemtic Name: 1-benzofuran-2-yl-[(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: benzofuran-2-yl-[(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]methanone CAS Name: 2-benzofuranyl-[(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: 1-benzofuran-2-yl-[(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: benzofuran-2-yl-[(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazino]methanone Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CNC3=C2C=CC=N3)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C[C@@H]1CN(CCN1S(=O)(=O)C2=CNC3=C2C=CC=N3)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C21H20N4O4S/c1-14-13-24(21(26)18-11-15-5-2-3-7-17(15)29-18)9-10-25(14)30(27,28)19-12-23-20-16(19)6-4-8-22-20/h2-8,11-12,14H,9-10,13H2,1H3,(H,22,23)/t14-/m1/s1