N-[5-(azepan-1-ylcarbonyl)pyridin-3-yl]-N,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[5-(azepan-1-ylcarbonyl)pyridin-3-yl]-N,4-dimethyl-benzenesulfonamide Openeye Name: N-[5-(azepane-1-carbonyl)-3-pyridyl]-N,4-dimethyl-benzenesulfonamide CAS Name: N-[5-[1-azepanyl(oxo)methyl]-3-pyridinyl]-N,4-dimethylbenzenesulfonamide IUPAC Name: N-[5-(azepane-1-carbonyl)pyridin-3-yl]-N,4-dimethylbenzenesulfonamide Traditional Name: N-[5-(azepane-1-carbonyl)-3-pyridyl]-N,4-dimethyl-benzenesulfonamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CN=CC(=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CN=CC(=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O3S/c1-16-7-9-19(10-8-16)27(25,26)22(2)18-13-17(14-21-15-18)20(24)23-11-5-3-4-6-12-23/h7-10,13-15H,3-6,11-12H2,1-2H3