2-methyl-3-(phenylsulfonyl)-5-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine

Systemtic Name: 2-methyl-3-(phenylsulfonyl)-5-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine Openeye Name: 3-(benzenesulfonyl)-2-methyl-5-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine CAS Name: 3-(benzenesulfonyl)-2-methyl-5-(1-piperazinyl)-1H-pyrrolo[2,3-b]pyridine IUPAC Name: 3-(benzenesulfonyl)-2-methyl-5-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine Traditional Name: 3-besyl-2-methyl-5-piperazino-1H-pyrrolo[2,3-b]pyridine Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=CN=C2N1)N3CCNCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC(=CN=C2N1)N3CCNCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H20N4O2S/c1-13-17(25(23,24)15-5-3-2-4-6-15)16-11-14(12-20-18(16)21-13)22-9-7-19-8-10-22/h2-6,11-12,19H,7-10H2,1H3,(H,20,21)