2-[2-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid

Systemtic Name: 2-[2-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid Openeye Name: 3-allyl-2-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-[[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]thio]-4-oxo-3-prop-2-enyl-7-quinazolinecarboxylic acid IUPAC Name: 2-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid Traditional Name: 3-allyl-2-[[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid Formula: C22H21ClN4O6S2 MolecularWeight: 537.00834

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC=C

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC=C

InChI

InChI=1S/C22H21ClN4O6S2/c1-4-9-27-20(29)15-7-5-13(21(30)31)10-17(15)25-22(27)34-12-19(28)24-18-11-14(6-8-16(18)23)35(32,33)26(2)3/h4-8,10-11H,1,9,12H2,2-3H3,(H,24,28)(H,30,31)