N-[3-[cyclopropyl-(2-oxidanyl-4-oxidanylidene-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]-3,4-bis(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[3-[cyclopropyl-(2-oxidanyl-4-oxidanylidene-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]-3,4-bis(trifluoromethyl)benzenesulfonamide Openeye Name: N-[3-[cyclopropyl-(2-hydroxy-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]-3,4-bis(trifluoromethyl)benzenesulfonamide CAS Name: N-[3-[cyclopropyl-(2-hydroxy-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]-3,4-bis(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[3-[cyclopropyl-(2-hydroxy-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]-3,4-bis(trifluoromethyl)benzenesulfonamide Traditional Name: N-[3-[cyclopropyl-(2-hydroxy-4-keto-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]-3,4-bis(trifluoromethyl)benzenesulfonamide Formula: C29H27F6NO5S MolecularWeight: 615.583799

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C(=O)C(=C(O2)O)C(C3CC3)C4=CC(=CC=C4)NS(=O)(=O)C5=CC(=C(C=C5)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CCCC2=C(CC1)C(=O)C(=C(O2)O)C(C3CC3)C4=CC(=CC=C4)NS(=O)(=O)C5=CC(=C(C=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C29H27F6NO5S/c30-28(31,32)21-13-12-19(15-22(21)29(33,34)35)42(39,40)36-18-7-5-6-17(14-18)24(16-10-11-16)25-26(37)20-8-3-1-2-4-9-23(20)41-27(25)38/h5-7,12-16,24,36,38H,1-4,8-11H2