2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C20H24N4O5S2 MolecularWeight: 464.55836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H24N4O5S2/c1-15-12-16(24(26)27)6-8-18(15)22-19(25)14-30-20-9-7-17(13-21-20)31(28,29)23-10-4-2-3-5-11-23/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,22,25)