3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxidanylidene-1,3-benzoxazole-6-sulfonamide

Systemtic Name: 3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxidanylidene-1,3-benzoxazole-6-sulfonamide Openeye Name: 3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide CAS Name: 3-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-2-oxo-1,3-benzoxazole-6-sulfonamide IUPAC Name: 3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide Traditional Name: 2-keto-3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-benzoxazole-6-sulfonamide Formula: C15H22N3O5S+ MolecularWeight: 356.41728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC[NH+]3CCOCC3)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC[NH+]3CCOCC3)OC1=O

InChI

InChI=1S/C15H21N3O5S/c1-17-13-4-3-12(11-14(13)23-15(17)19)24(20,21)16-5-2-6-18-7-9-22-10-8-18/h3-4,11,16H,2,5-10H2,1H3/p+1