N-cycloheptyl-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-cycloheptyl-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-nitro-anilino]-N-cycloheptyl-acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cycloheptylacetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cycloheptylacetamide Traditional Name: 2-(N-besyl-4-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=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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