1-[3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylphenyl]ethanone

Systemtic Name: 1-[3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylphenyl]ethanone Openeye Name: 1-[3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylphenyl]ethanone CAS Name: 1-[3-[[3-(1-piperazinyl)-1-pyrrolo[3,2-b]pyridinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylphenyl]ethanone Traditional Name: 1-[3-(3-piperazinopyrrolo[3,2-b]pyridin-1-yl)sulfonylphenyl]ethanone Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2C=C(C3=C2C=CC=N3)N4CCNCC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2C=C(C3=C2C=CC=N3)N4CCNCC4

InChI

InChI=1S/C19H20N4O3S/c1-14(24)15-4-2-5-16(12-15)27(25,26)23-13-18(22-10-8-20-9-11-22)19-17(23)6-3-7-21-19/h2-7,12-13,20H,8-11H2,1H3