N-(2-methoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N-(2-methoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: N-(2-methoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: N-(2-methoxyphenyl)-3-(1-pyrrolidin-1-iumylmethyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-(2-methoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: N-(2-methoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C19H22N3O4S2+ MolecularWeight: 420.52568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3C[NH+]4CCCC4

InChI

InChI=1S/C19H21N3O4S2/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/h2-3,6-9,12,20H,4-5,10-11,13H2,1H3/p+1