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

Systemtic Name: 3-[(4-cyclohexylphenyl)sulfonylamino]-N-(3-oxidanylpyridin-1-ium-2-yl)propanamide Openeye Name: 3-[(4-cyclohexylphenyl)sulfonylamino]-N-(3-hydroxypyridin-1-ium-2-yl)propanamide CAS Name: 3-[(4-cyclohexylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridin-1-iumyl)propanamide IUPAC Name: 3-[(4-cyclohexylphenyl)sulfonylamino]-N-(3-hydroxypyridin-1-ium-2-yl)propanamide Traditional Name: 3-[(4-cyclohexylphenyl)sulfonylamino]-N-(3-hydroxypyridin-1-ium-2-yl)propionamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)NC3=C(C=CC=[NH+]3)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)NC3=C(C=CC=[NH+]3)O

InChI

InChI=1S/C20H25N3O4S/c24-18-7-4-13-21-20(18)23-19(25)12-14-22-28(26,27)17-10-8-16(9-11-17)15-5-2-1-3-6-15/h4,7-11,13,15,22,24H,1-3,5-6,12,14H2,(H,21,23,25)/p+1