3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-N-(2-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: 3-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-N-(2-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C22H28N3O4S2+ MolecularWeight: 462.60542

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CN2C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=CC=C4OC)OC2=S)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CN2C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=CC=C4OC)OC2=S)C

InChI

InChI=1S/C22H27N3O4S2/c1-15-10-16(2)13-24(12-15)14-25-19-11-17(8-9-21(19)29-22(25)30)31(26,27)23-18-6-4-5-7-20(18)28-3/h4-9,11,15-16,23H,10,12-14H2,1-3H3/p+1/t15-,16-/m0/s1