cyclopropyl-[(2-fluorophenyl)methyl]-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium

Systemtic Name: cyclopropyl-[(2-fluorophenyl)methyl]-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium Openeye Name: cyclopropyl-[(2-fluorophenyl)methyl]-[(5-morpholinosulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]ammonium CAS Name: cyclopropyl-[(2-fluorophenyl)methyl]-[[5-(4-morpholinylsulfonyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]ammonium IUPAC Name: cyclopropyl-[(2-fluorophenyl)methyl]-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium Traditional Name: cyclopropyl-(2-fluorobenzyl)-[(5-morpholinosulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]ammonium Formula: C22H25FN3O4S2+ MolecularWeight: 478.580003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+](CC2=CC=CC=C2F)CN3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)OC3=S

Isomeric SMILES

C1CC1[NH+](CC2=CC=CC=C2F)CN3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)OC3=S

InChI

InChI=1S/C22H24FN3O4S2/c23-19-4-2-1-3-16(19)14-24(17-5-6-17)15-26-20-13-18(7-8-21(20)30-22(26)31)32(27,28)25-9-11-29-12-10-25/h1-4,7-8,13,17H,5-6,9-12,14-15H2/p+1