2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]-N-(3-chloranyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]-N-(3-chloranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-N-(3-chloro-2-methyl-phenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-2-nitroanilino]-N-(3-chloro-2-methylphenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]-N-(3-chloro-2-methylphenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-N-(3-chloro-2-methyl-phenyl)acetamide Formula: C21H25ClN4O5S MolecularWeight: 480.965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25ClN4O5S/c1-15-17(22)7-6-8-18(15)24-21(27)14-23-19-10-9-16(13-20(19)26(28)29)32(30,31)25-11-4-2-3-5-12-25/h6-10,13,23H,2-5,11-12,14H2,1H3,(H,24,27)