N-[2,6-dimethoxy-4-(1-pyridin-2-yl-1,4-diazepan-5-yl)phenyl]methanesulfonamide

Systemtic Name: N-[2,6-dimethoxy-4-(1-pyridin-2-yl-1,4-diazepan-5-yl)phenyl]methanesulfonamide Openeye Name: N-[2,6-dimethoxy-4-[1-(2-pyridyl)-1,4-diazepan-5-yl]phenyl]methanesulfonamide CAS Name: N-[2,6-dimethoxy-4-[1-(2-pyridinyl)-1,4-diazepan-5-yl]phenyl]methanesulfonamide IUPAC Name: N-[2,6-dimethoxy-4-(1-pyridin-2-yl-1,4-diazepan-5-yl)phenyl]methanesulfonamide Traditional Name: N-[2,6-dimethoxy-4-[1-(2-pyridyl)-1,4-diazepan-5-yl]phenyl]methanesulfonamide Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1NS(=O)(=O)C)OC)C2CCN(CCN2)C3=CC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1NS(=O)(=O)C)OC)C2CCN(CCN2)C3=CC=CC=N3

InChI

InChI=1S/C19H26N4O4S/c1-26-16-12-14(13-17(27-2)19(16)22-28(3,24)25)15-7-10-23(11-9-20-15)18-6-4-5-8-21-18/h4-6,8,12-13,15,20,22H,7,9-11H2,1-3H3