2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)methylamino]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

Systemtic Name: 2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)methylamino]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone Openeye Name: 2-[[2-chloro-5-(1-piperidylsulfonyl)phenyl]methylamino]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone CAS Name: 2-[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]methylamino]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone IUPAC Name: 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methylamino]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone Traditional Name: 2-[(2-chloro-5-piperidinosulfonyl-benzyl)amino]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)CNCC(=O)C3=CNC4=C3C=CC=N4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)CNCC(=O)C3=CNC4=C3C=CC=N4

InChI

InChI=1S/C21H23ClN4O3S/c22-19-7-6-16(30(28,29)26-9-2-1-3-10-26)11-15(19)12-23-14-20(27)18-13-25-21-17(18)5-4-8-24-21/h4-8,11,13,23H,1-3,9-10,12,14H2,(H,24,25)