5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoranyl-N-heptyl-benzamide

Systemtic Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoranyl-N-heptyl-benzamide Openeye Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-heptyl-benzamide CAS Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-heptylbenzamide IUPAC Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-heptylbenzamide Traditional Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-heptyl-benzamide Formula: C21H31FN2O5S MolecularWeight: 442.544643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCC3(CC2)OCCO3)F

Isomeric SMILES

CCCCCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCC3(CC2)OCCO3)F

InChI

InChI=1S/C21H31FN2O5S/c1-2-3-4-5-6-11-23-20(25)18-16-17(7-8-19(18)22)30(26,27)24-12-9-21(10-13-24)28-14-15-29-21/h7-8,16H,2-6,9-15H2,1H3,(H,23,25)