3-[4-[[3-chloranyl-2-(4-methoxyphenyl)-4-oxidanylidene-azetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxidanylidene-quinazoline-6-sulfonic acid

Systemtic Name: 3-[4-[[3-chloranyl-2-(4-methoxyphenyl)-4-oxidanylidene-azetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxidanylidene-quinazoline-6-sulfonic acid Openeye Name: 3-[4-[[3-chloro-2-(4-methoxyphenyl)-4-oxo-azetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxo-quinazoline-6-sulfonic acid CAS Name: 3-[4-[[[3-chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl]amino]-oxomethyl]phenyl]-2-methyl-4-oxo-6-quinazolinesulfonic acid IUPAC Name: 3-[4-[[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxoquinazoline-6-sulfonic acid Traditional Name: 3-[4-[[3-chloro-2-keto-4-(4-methoxyphenyl)azetidin-1-yl]carbamoyl]phenyl]-4-keto-2-methyl-quinazoline-6-sulfonic acid Formula: C26H21ClN4O7S MolecularWeight: 568.98554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)N1C3=CC=C(C=C3)C(=O)NN4C(C(C4=O)Cl)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)N1C3=CC=C(C=C3)C(=O)NN4C(C(C4=O)Cl)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H21ClN4O7S/c1-14-28-21-12-11-19(39(35,36)37)13-20(21)25(33)30(14)17-7-3-16(4-8-17)24(32)29-31-23(22(27)26(31)34)15-5-9-18(38-2)10-6-15/h3-13,22-23H,1-2H3,(H,29,32)(H,35,36,37)