4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)butanamide

Systemtic Name: 4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)butanamide Openeye Name: 4-(2,5-dichloro-N-methylsulfonyl-anilino)-N-(3-imidazol-1-ylpropyl)butanamide CAS Name: 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(1-imidazolyl)propyl]butanamide IUPAC Name: 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-imidazol-1-ylpropyl)butanamide Traditional Name: 4-(2,5-dichloro-N-mesyl-anilino)-N-(3-imidazol-1-ylpropyl)butyramide Formula: C17H22Cl2N4O3S MolecularWeight: 433.35258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NCCCN1C=CN=C1)C2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NCCCN1C=CN=C1)C2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C17H22Cl2N4O3S/c1-27(25,26)23(16-12-14(18)5-6-15(16)19)10-2-4-17(24)21-7-3-9-22-11-8-20-13-22/h5-6,8,11-13H,2-4,7,9-10H2,1H3,(H,21,24)