7-[[3-fluoranyl-5-[oxidanyl-(1-propylcyclobutyl)methyl]phenyl]-methylsulfonyl-amino]heptane-1-sulfinic acid

Systemtic Name: 7-[[3-fluoranyl-5-[oxidanyl-(1-propylcyclobutyl)methyl]phenyl]-methylsulfonyl-amino]heptane-1-sulfinic acid Openeye Name: 7-[3-fluoro-5-[hydroxy-(1-propylcyclobutyl)methyl]-N-methylsulfonyl-anilino]heptane-1-sulfinic acid CAS Name: 7-[3-fluoro-5-[hydroxy-(1-propylcyclobutyl)methyl]-N-methylsulfonylanilino]-1-heptanesulfinic acid IUPAC Name: 7-[3-fluoro-5-[hydroxy-(1-propylcyclobutyl)methyl]-N-methylsulfonylanilino]heptane-1-sulfinic acid Traditional Name: 7-[3-fluoro-5-[hydroxy-(1-propylcyclobutyl)methyl]-N-mesyl-anilino]heptane-1-sulfinic acid Formula: C22H36FNO5S2 MolecularWeight: 477.653343

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCC1)C(C2=CC(=CC(=C2)F)N(CCCCCCCS(=O)O)S(=O)(=O)C)O

Isomeric SMILES

CCCC1(CCC1)C(C2=CC(=CC(=C2)F)N(CCCCCCCS(=O)O)S(=O)(=O)C)O

InChI

InChI=1S/C22H36FNO5S2/c1-3-10-22(11-9-12-22)21(25)18-15-19(23)17-20(16-18)24(31(2,28)29)13-7-5-4-6-8-14-30(26)27/h15-17,21,25H,3-14H2,1-2H3,(H,26,27)