4-[4-(7-chloranyl-4-oxidanylidene-6-sulfamoyl-1H-quinazolin-2-yl)phenoxy]-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-[4-(7-chloranyl-4-oxidanylidene-6-sulfamoyl-1H-quinazolin-2-yl)phenoxy]-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-[4-(7-chloro-4-oxo-6-sulfamoyl-1H-quinazolin-2-yl)phenoxy]-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[4-(7-chloro-4-oxo-6-sulfamoyl-1H-quinazolin-2-yl)phenoxy]-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[4-(7-chloro-4-oxo-6-sulfamoyl-1H-quinazolin-2-yl)phenoxy]-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-[4-(7-chloro-4-keto-6-sulfamoyl-1H-quinazolin-2-yl)phenoxy]-1-(3-mercapto-2-methyl-propanoyl)proline Formula: C23H23ClN4O7S2 MolecularWeight: 567.03432

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)OC2=CC=C(C=C2)C3=NC(=O)C4=CC(=C(C=C4N3)Cl)S(=O)(=O)N

Isomeric SMILES

CC(CS)C(=O)N1CC(CC1C(=O)O)OC2=CC=C(C=C2)C3=NC(=O)C4=CC(=C(C=C4N3)Cl)S(=O)(=O)N

InChI

InChI=1S/C23H23ClN4O7S2/c1-11(10-36)22(30)28-9-14(6-18(28)23(31)32)35-13-4-2-12(3-5-13)20-26-17-8-16(24)19(37(25,33)34)7-15(17)21(29)27-20/h2-5,7-8,11,14,18,36H,6,9-10H2,1H3,(H,31,32)(H2,25,33,34)(H,26,27,29)