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

Systemtic Name: N-[3-[2-[1-[[2,5-bis(fluoranyl)phenyl]-(4-chlorophenyl)sulfonyl-amino]ethyl]phenoxy]propyl]-N-methyl-adamantane-1-carboxamide Openeye Name: N-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoro-anilino)ethyl]phenoxy]propyl]-N-methyl-adamantane-1-carboxamide CAS Name: N-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]phenoxy]propyl]-N-methyl-1-adamantanecarboxamide IUPAC Name: N-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]phenoxy]propyl]-N-methyladamantane-1-carboxamide Traditional Name: N-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoro-anilino)ethyl]phenoxy]propyl]-N-methyl-adamantane-1-carboxamide Formula: C35H39ClF2N2O4S MolecularWeight: 657.209966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OCCCN(C)C(=O)C23CC4CC(C2)CC(C4)C3)N(C5=C(C=CC(=C5)F)F)S(=O)(=O)C6=CC=C(C=C6)Cl

Isomeric SMILES

CC(C1=CC=CC=C1OCCCN(C)C(=O)C23CC4CC(C2)CC(C4)C3)N(C5=C(C=CC(=C5)F)F)S(=O)(=O)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C35H39ClF2N2O4S/c1-23(40(32-19-28(37)10-13-31(32)38)45(42,43)29-11-8-27(36)9-12-29)30-6-3-4-7-33(30)44-15-5-14-39(2)34(41)35-20-24-16-25(21-35)18-26(17-24)22-35/h3-4,6-13,19,23-26H,5,14-18,20-22H2,1-2H3