N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-bromanyl-pyridine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-bromo-pyridine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-bromopyridine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-bromo-nicotinamide Formula: C19H22BrN3O3S MolecularWeight: 452.36528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O3S/c1-14-6-7-17(22-19(24)15-10-16(20)13-21-12-15)11-18(14)27(25,26)23-8-4-2-3-5-9-23/h6-7,10-13H,2-5,8-9H2,1H3,(H,22,24)