3-[[1-[bis(4-cyanophenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-5-fluoranyl-benzoic acid

Systemtic Name: 3-[[1-[bis(4-cyanophenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-5-fluoranyl-benzoic acid Openeye Name: 3-[[1-[bis(4-cyanophenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-5-fluoro-benzoic acid CAS Name: 3-[[1-[bis(4-cyanophenyl)methyl]-3-azetidinyl]-methylsulfonylamino]-5-fluorobenzoic acid IUPAC Name: 3-[[1-[bis(4-cyanophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-5-fluorobenzoic acid Traditional Name: 3-[[1-[bis(4-cyanophenyl)methyl]azetidin-3-yl]-mesyl-amino]-5-fluoro-benzoic acid Formula: C26H21FN4O4S MolecularWeight: 504.532743

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C1CN(C1)C(C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)C#N)C4=CC(=CC(=C4)C(=O)O)F

Isomeric SMILES

CS(=O)(=O)N(C1CN(C1)C(C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)C#N)C4=CC(=CC(=C4)C(=O)O)F

InChI

InChI=1S/C26H21FN4O4S/c1-36(34,35)31(23-11-21(26(32)33)10-22(27)12-23)24-15-30(16-24)25(19-6-2-17(13-28)3-7-19)20-8-4-18(14-29)5-9-20/h2-12,24-25H,15-16H2,1H3,(H,32,33)