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

Systemtic Name: [(2S)-2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-phenyl-methanone Openeye Name: [(2S)-2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-phenyl-methanone CAS Name: [(2S)-2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)-1-piperazinyl]-phenylmethanone IUPAC Name: [(2S)-2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-phenylmethanone Traditional Name: [(2S)-2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazino]-phenyl-methanone Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CNC4=C3C=CC=N4

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CNC4=C3C=CC=N4

InChI

InChI=1S/C19H20N4O3S/c1-14-13-22(10-11-23(14)19(24)15-6-3-2-4-7-15)27(25,26)17-12-21-18-16(17)8-5-9-20-18/h2-9,12,14H,10-11,13H2,1H3,(H,20,21)/t14-/m0/s1