3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-oxidanylpyridin-1-ium-2-yl)propanamide

Systemtic Name: 3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-oxidanylpyridin-1-ium-2-yl)propanamide Openeye Name: 3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-hydroxypyridin-1-ium-2-yl)propanamide CAS Name: 3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridin-1-iumyl)propanamide IUPAC Name: 3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-hydroxypyridin-1-ium-2-yl)propanamide Traditional Name: 3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-hydroxypyridin-1-ium-2-yl)propionamide Formula: C18H24N3O4S+ MolecularWeight: 378.46586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=C(C=CC=[NH+]2)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=C(C=CC=[NH+]2)O

InChI

InChI=1S/C18H23N3O4S/c1-18(2,3)13-6-8-14(9-7-13)26(24,25)20-12-10-16(23)21-17-15(22)5-4-11-19-17/h4-9,11,20,22H,10,12H2,1-3H3,(H,19,21,23)/p+1