4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(1-oxidanylidenethian-4-yl)benzenesulfonamide

Systemtic Name: 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(1-oxidanylidenethian-4-yl)benzenesulfonamide Openeye Name: 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(1-oxothian-4-yl)benzenesulfonamide CAS Name: 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(1-oxo-4-thianyl)benzenesulfonamide IUPAC Name: 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(1-oxothian-4-yl)benzenesulfonamide Traditional Name: N-(1-ketothian-4-yl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CN=C2N1)C3=CC=C(C=C3)S(=O)(=O)NC4CCS(=O)CC4

Isomeric SMILES

CC1=CC2=C(C=CN=C2N1)C3=CC=C(C=C3)S(=O)(=O)NC4CCS(=O)CC4

InChI

InChI=1S/C19H21N3O3S2/c1-13-12-18-17(6-9-20-19(18)21-13)14-2-4-16(5-3-14)27(24,25)22-15-7-10-26(23)11-8-15/h2-6,9,12,15,22H,7-8,10-11H2,1H3,(H,20,21)