N-(2-methylsulfonylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)benzamide

Systemtic Name: N-(2-methylsulfonylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)benzamide Openeye Name: N-(2-methylsulfonylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)benzamide CAS Name: N-(2-methylsulfonylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)benzamide IUPAC Name: N-(2-methylsulfonylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)benzamide Traditional Name: N-(2-mesylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)benzamide Formula: C18H20N4O5S2 MolecularWeight: 436.5052

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CNC3=C2C=CC=N3

Isomeric SMILES

CS(=O)(=O)CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CNC3=C2C=CC=N3

InChI

InChI=1S/C18H20N4O5S2/c1-28(24,25)10-9-20-18(23)13-4-6-15(7-5-13)29(26,27)22-12-14-11-21-17-16(14)3-2-8-19-17/h2-8,11,22H,9-10,12H2,1H3,(H,19,21)(H,20,23)