N-[3-[2-[1-[[2,5-bis(fluoranyl)phenyl]-(4-chlorophenyl)sulfonyl-amino]ethyl]phenoxy]propyl]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-[2-[1-[[2,5-bis(fluoranyl)phenyl]-(4-chlorophenyl)sulfonyl-amino]ethyl]phenoxy]propyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoro-anilino)ethyl]phenoxy]propyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]phenoxy]propyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]phenoxy]propyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoro-anilino)ethyl]phenoxy]propyl]-N-methyl-3-nitro-benzenesulfonamide Formula: C30H28ClF2N3O7S2 MolecularWeight: 680.139026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OCCCN(C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])N(C3=C(C=CC(=C3)F)F)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C1=CC=CC=C1OCCCN(C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])N(C3=C(C=CC(=C3)F)F)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C30H28ClF2N3O7S2/c1-21(35(29-19-23(32)13-16-28(29)33)45(41,42)25-14-11-22(31)12-15-25)27-9-3-4-10-30(27)43-18-6-17-34(2)44(39,40)26-8-5-7-24(20-26)36(37)38/h3-5,7-16,19-21H,6,17-18H2,1-2H3