N-[(2R)-1-morpholin-4-ium-4-ylbutan-2-yl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[NH+]1CCOCC1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3

Isomeric SMILES

CC[C@H](C[NH+]1CCOCC1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3

InChI

InChI=1S/C15H21N3O5S/c1-2-11(10-18-5-7-22-8-6-18)17-24(20,21)12-3-4-13-14(9-12)23-15(19)16-13/h3-4,9,11,17H,2,5-8,10H2,1H3,(H,16,19)/p+1/t11-/m1/s1