N-cycloheptyl-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-cycloheptyl-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-cycloheptyl-acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-cycloheptylacetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-cycloheptylacetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-cycloheptyl-acetamide Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5S/c25-21(22-17-9-4-1-2-5-10-17)16-23(18-11-8-12-19(15-18)24(26)27)30(28,29)20-13-6-3-7-14-20/h3,6-8,11-15,17H,1-2,4-5,9-10,16H2,(H,22,25)