N-[2-[2-[1-[[2,5-bis(fluoranyl)phenyl]-(4-chlorophenyl)sulfonyl-amino]ethyl]phenoxy]ethyl]-N-ethyl-adamantane-1-carboxamide

Systemtic Name: N-[2-[2-[1-[[2,5-bis(fluoranyl)phenyl]-(4-chlorophenyl)sulfonyl-amino]ethyl]phenoxy]ethyl]-N-ethyl-adamantane-1-carboxamide Openeye Name: N-[2-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoro-anilino)ethyl]phenoxy]ethyl]-N-ethyl-adamantane-1-carboxamide CAS Name: N-[2-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]phenoxy]ethyl]-N-ethyl-1-adamantanecarboxamide IUPAC Name: N-[2-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]phenoxy]ethyl]-N-ethyladamantane-1-carboxamide Traditional Name: N-[2-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoro-anilino)ethyl]phenoxy]ethyl]-N-ethyl-adamantane-1-carboxamide Formula: C35H39ClF2N2O4S MolecularWeight: 657.209966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC1=CC=CC=C1C(C)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCN(CCOC1=CC=CC=C1C(C)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C35H39ClF2N2O4S/c1-3-39(34(41)35-20-24-16-25(21-35)18-26(17-24)22-35)14-15-44-33-7-5-4-6-30(33)23(2)40(32-19-28(37)10-13-31(32)38)45(42,43)29-11-8-27(36)9-12-29/h4-13,19,23-26H,3,14-18,20-22H2,1-2H3