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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN1S(=O)(=O)C2=CNC3=C2C=CC=N3)C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CN(CCN1S(=O)(=O)C2=CNC3=C2C=CC=N3)C(=O)C4=CC=CC=C4)C

InChI

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