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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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