N-[2-[(2-chloranyl-4-iodanyl-phenyl)amino]-3,4-bis(fluoranyl)phenyl]-3-(cyclopentylamino)azetidine-1-sulfonamide

Systemtic Name: N-[2-[(2-chloranyl-4-iodanyl-phenyl)amino]-3,4-bis(fluoranyl)phenyl]-3-(cyclopentylamino)azetidine-1-sulfonamide Openeye Name: N-[2-(2-chloro-4-iodo-anilino)-3,4-difluoro-phenyl]-3-(cyclopentylamino)azetidine-1-sulfonamide CAS Name: N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-3-(cyclopentylamino)-1-azetidinesulfonamide IUPAC Name: N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-3-(cyclopentylamino)azetidine-1-sulfonamide Traditional Name: N-[2-(2-chloro-4-iodo-anilino)-3,4-difluoro-phenyl]-3-(cyclopentylamino)azetidine-1-sulfonamide Formula: C20H22ClF2IN4O2S MolecularWeight: 582.833556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2CN(C2)S(=O)(=O)NC3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)Cl

Isomeric SMILES

C1CCC(C1)NC2CN(C2)S(=O)(=O)NC3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)Cl

InChI

InChI=1S/C20H22ClF2IN4O2S/c21-15-9-12(24)5-7-17(15)26-20-18(8-6-16(22)19(20)23)27-31(29,30)28-10-14(11-28)25-13-3-1-2-4-13/h5-9,13-14,25-27H,1-4,10-11H2