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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: 2-oxo-N-[2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: 2-keto-N-[2-(3-pyridyl)-2-tosyl-ethyl]-3H-1,3-benzoxazole-6-sulfonamide Formula: C21H19N3O6S2 MolecularWeight: 473.52206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O6S2/c1-14-4-6-16(7-5-14)31(26,27)20(15-3-2-10-22-12-15)13-23-32(28,29)17-8-9-18-19(11-17)30-21(25)24-18/h2-12,20,23H,13H2,1H3,(H,24,25)