1-[(3-methylphenyl)methyl]-5-(phenylsulfonylamino)pyrrolo[2,3-b]pyridine-3-carboxamide

Systemtic Name: 1-[(3-methylphenyl)methyl]-5-(phenylsulfonylamino)pyrrolo[2,3-b]pyridine-3-carboxamide Openeye Name: 5-(benzenesulfonamido)-1-(m-tolylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide CAS Name: 5-(benzenesulfonamido)-1-[(3-methylphenyl)methyl]-3-pyrrolo[2,3-b]pyridinecarboxamide IUPAC Name: 5-(benzenesulfonamido)-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-carboxamide Traditional Name: 5-(benzenesulfonamido)-1-(3-methylbenzyl)pyrrolo[2,3-b]pyridine-3-carboxamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C3=CC(=CN=C32)NS(=O)(=O)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C3=CC(=CN=C32)NS(=O)(=O)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C22H20N4O3S/c1-15-6-5-7-16(10-15)13-26-14-20(21(23)27)19-11-17(12-24-22(19)26)25-30(28,29)18-8-3-2-4-9-18/h2-12,14,25H,13H2,1H3,(H2,23,27)