1-[(4-tert-butylphenyl)methyl]-5-(phenylsulfonylamino)pyrrolo[2,3-b]pyridine-3-carboxamide

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-5-(phenylsulfonylamino)pyrrolo[2,3-b]pyridine-3-carboxamide Openeye Name: 5-(benzenesulfonamido)-1-[(4-tert-butylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-carboxamide CAS Name: 5-(benzenesulfonamido)-1-[(4-tert-butylphenyl)methyl]-3-pyrrolo[2,3-b]pyridinecarboxamide IUPAC Name: 5-(benzenesulfonamido)-1-[(4-tert-butylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-carboxamide Traditional Name: 5-(benzenesulfonamido)-1-(4-tert-butylbenzyl)pyrrolo[2,3-b]pyridine-3-carboxamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O3S/c1-25(2,3)18-11-9-17(10-12-18)15-29-16-22(23(26)30)21-13-19(14-27-24(21)29)28-33(31,32)20-7-5-4-6-8-20/h4-14,16,28H,15H2,1-3H3,(H2,26,30)