5-[3-[2-[4-[cyano(phenyl)methylidene]piperidin-1-yl]-2-oxidanylidene-ethanoyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]pyrimidine-2-sulfonamide

Systemtic Name: 5-[3-[2-[4-[cyano(phenyl)methylidene]piperidin-1-yl]-2-oxidanylidene-ethanoyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]pyrimidine-2-sulfonamide Openeye Name: 5-[3-[2-[4-[cyano(phenyl)methylene]-1-piperidyl]-2-oxo-acetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]pyrimidine-2-sulfonamide CAS Name: 5-[3-[2-[4-[cyano(phenyl)methylidene]-1-piperidinyl]-1,2-dioxoethyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-2-pyrimidinesulfonamide IUPAC Name: 5-[3-[2-[4-[cyano(phenyl)methylidene]piperidin-1-yl]-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]pyrimidine-2-sulfonamide Traditional Name: 5-[3-[2-[4-[cyano(phenyl)methylene]piperidino]-2-keto-acetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]pyrimidine-2-sulfonamide Formula: C27H23N7O5S MolecularWeight: 557.58042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(C2=C1C(=CN2)C(=O)C(=O)N3CCC(=C(C#N)C4=CC=CC=C4)CC3)C5=CN=C(N=C5)S(=O)(=O)N

Isomeric SMILES

COC1=CN=C(C2=C1C(=CN2)C(=O)C(=O)N3CCC(=C(C#N)C4=CC=CC=C4)CC3)C5=CN=C(N=C5)S(=O)(=O)N

InChI

InChI=1S/C27H23N7O5S/c1-39-21-15-31-23(18-12-32-27(33-13-18)40(29,37)38)24-22(21)20(14-30-24)25(35)26(36)34-9-7-17(8-10-34)19(11-28)16-5-3-2-4-6-16/h2-6,12-15,30H,7-10H2,1H3,(H2,29,37,38)