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

Systemtic Name: [3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-(2-thienyl)methanone CAS Name: [3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazino]-(2-thienyl)methanone Formula: C17H18N4O3S2 MolecularWeight: 390.47982

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CNC3=C2C=CC=N3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CNC3=C2C=CC=N3)C(=O)C4=CC=CS4

InChI

InChI=1S/C17H18N4O3S2/c1-12-11-20(17(22)14-5-3-9-25-14)7-8-21(12)26(23,24)15-10-19-16-13(15)4-2-6-18-16/h2-6,9-10,12H,7-8,11H2,1H3,(H,18,19)