(2-methoxyphenyl)-[[3-(pyrrolidin-1-ium-1-ylmethyl)-2-sulfanylidene-1,3-benzoxazol-5-yl]sulfonyl]azanide

Systemtic Name: (2-methoxyphenyl)-[[3-(pyrrolidin-1-ium-1-ylmethyl)-2-sulfanylidene-1,3-benzoxazol-5-yl]sulfonyl]azanide Openeye Name: (2-methoxyphenyl)-[[3-(pyrrolidin-1-ium-1-ylmethyl)-2-thioxo-1,3-benzoxazol-5-yl]sulfonyl]azanide CAS Name: (2-methoxyphenyl)-[[3-(1-pyrrolidin-1-iumylmethyl)-2-sulfanylidene-1,3-benzoxazol-5-yl]sulfonyl]azanide IUPAC Name: (2-methoxyphenyl)-[[3-(pyrrolidin-1-ium-1-ylmethyl)-2-sulfanylidene-1,3-benzoxazol-5-yl]sulfonyl]azanide Traditional Name: (2-methoxyphenyl)-[[3-(pyrrolidin-1-ium-1-ylmethyl)-2-thioxo-1,3-benzoxazol-5-yl]sulfonyl]azanide Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[N-]S(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1[N-]S(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3C[NH+]4CCCC4

InChI

InChI=1S/C19H20N3O4S2/c1-25-17-7-3-2-6-15(17)20-28(23,24)14-8-9-18-16(12-14)22(19(27)26-18)13-21-10-4-5-11-21/h2-3,6-9,12H,4-5,10-11,13H2,1H3/q-1/p+1