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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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