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

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-methyl-[(5-morpholinosulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-methyl-[[5-(4-morpholinylsulfonyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]ammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium Traditional Name: 2-(4-chlorophenoxy)ethyl-methyl-[(5-morpholinosulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]ammonium Formula: C21H25ClN3O5S2+ MolecularWeight: 499.0233

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=C(C=C1)Cl)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

Isomeric SMILES

C[NH+](CCOC1=CC=C(C=C1)Cl)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

InChI

InChI=1S/C21H24ClN3O5S2/c1-23(8-13-29-17-4-2-16(22)3-5-17)15-25-19-14-18(6-7-20(19)30-21(25)31)32(26,27)24-9-11-28-12-10-24/h2-7,14H,8-13,15H2,1H3/p+1