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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=N2)N3CCNCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=C1C=CC(=N2)N3CCNCC3)S(=O)(=O)C4=CC=CC=C4

InChI

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