3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-4-nitro-phenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27N3O5S/c1-17-16-19(25(27)28)9-12-21(17)23-22(26)13-8-18-6-10-20(11-7-18)31(29,30)24-14-4-2-3-5-15-24/h6-7,9-12,16H,2-5,8,13-15H2,1H3,(H,23,26)