(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl-methyl-[(5-morpholinosulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]ammonium CAS Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[[5-(4-morpholinylsulfonyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]ammonium IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium Traditional Name: (3-fluoro-4-methoxy-benzyl)-methyl-[(5-morpholinosulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]ammonium Formula: C21H25FN3O5S2+ MolecularWeight: 482.568703

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)F)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)F)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

InChI

InChI=1S/C21H24FN3O5S2/c1-23(13-15-3-5-19(28-2)17(22)11-15)14-25-18-12-16(4-6-20(18)30-21(25)31)32(26,27)24-7-9-29-10-8-24/h3-6,11-12H,7-10,13-14H2,1-2H3/p+1