N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide CAS Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-2-keto-3H-1,3-benzoxazole-6-sulfonamide Formula: C22H21N3O6S2 MolecularWeight: 487.54864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)C4=CN=CC=C4)C

InChI

InChI=1S/C22H21N3O6S2/c1-14-5-6-17(10-15(14)2)32(27,28)21(16-4-3-9-23-12-16)13-24-33(29,30)18-7-8-19-20(11-18)31-22(26)25-19/h3-12,21,24H,13H2,1-2H3,(H,25,26)