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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-3-nitro-phenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-3-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/c1-17-20(7-6-8-21(17)25(27)28)23-22(26)14-11-18-9-12-19(13-10-18)31(29,30)24-15-4-2-3-5-16-24/h6-10,12-13H,2-5,11,14-16H2,1H3,(H,23,26)