6-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione

Systemtic Name: 6-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione Openeye Name: 6-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione CAS Name: 6-[[3-(1-azepanylsulfonyl)-4-methoxyphenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione IUPAC Name: 6-[[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione Traditional Name: 6-[3-(azepan-1-ylsulfonyl)-4-methoxy-benzyl]pyrrolo[3,4-b]pyridine-5,7-quinone Formula: C21H23N3O5S MolecularWeight: 429.48942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)N=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)N=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H23N3O5S/c1-29-17-9-8-15(13-18(17)30(27,28)23-11-4-2-3-5-12-23)14-24-20(25)16-7-6-10-22-19(16)21(24)26/h6-10,13H,2-5,11-12,14H2,1H3