2-[(5-chloranyl-2-methoxy-phenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-N-(2-methylbut-3-yn-2-yl)ethanamide

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-N-(2-methylbut-3-yn-2-yl)ethanamide Openeye Name: 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)-N-(1,1-dimethylprop-2-ynyl)acetamide CAS Name: 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-(2-methylbut-3-yn-2-yl)acetamide IUPAC Name: 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-(2-methylbut-3-yn-2-yl)acetamide Traditional Name: 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)-N-(1,1-dimethylprop-2-ynyl)acetamide Formula: C21H22ClN3O6S MolecularWeight: 479.93388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC(C)(C)C#C)C2=C(C=CC(=C2)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC(C)(C)C#C)C2=C(C=CC(=C2)Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN3O6S/c1-6-21(3,4)23-20(26)13-24(18-11-15(22)8-10-19(18)31-5)32(29,30)16-9-7-14(2)17(12-16)25(27)28/h1,7-12H,13H2,2-5H3,(H,23,26)