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

Systemtic Name: 3-[4-[[3-chloranyl-2-(2-hydroxyphenyl)-4-oxidanylidene-azetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxidanylidene-quinazoline-6-sulfonic acid Openeye Name: 3-[4-[[3-chloro-2-(2-hydroxyphenyl)-4-oxo-azetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxo-quinazoline-6-sulfonic acid CAS Name: 3-[4-[[[3-chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl]amino]-oxomethyl]phenyl]-2-methyl-4-oxo-6-quinazolinesulfonic acid IUPAC Name: 3-[4-[[3-chloro-2-(2-hydroxyphenyl)-4-oxoazetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxoquinazoline-6-sulfonic acid Traditional Name: 3-[4-[[3-chloro-2-(2-hydroxyphenyl)-4-keto-azetidin-1-yl]carbamoyl]phenyl]-4-keto-2-methyl-quinazoline-6-sulfonic acid Formula: C25H19ClN4O7S MolecularWeight: 554.95896

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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=CC=C5O

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=CC=C5O

InChI

InChI=1S/C25H19ClN4O7S/c1-13-27-19-11-10-16(38(35,36)37)12-18(19)24(33)29(13)15-8-6-14(7-9-15)23(32)28-30-22(21(26)25(30)34)17-4-2-3-5-20(17)31/h2-12,21-22,31H,1H3,(H,28,32)(H,35,36,37)