N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-6-methoxy-pyridine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-6-methoxy-pyridine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-6-methoxy-pyridine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-6-methoxy-3-pyridinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-6-methoxypyridine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-6-methoxy-nicotinamide Formula: C20H25N3O4S MolecularWeight: 403.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CN=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CN=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O4S/c1-15-7-9-17(22-20(24)16-8-10-19(27-2)21-14-16)13-18(15)28(25,26)23-11-5-3-4-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,24)