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

Systemtic Name: 3-[4-[[2-(3-bromophenyl)-3-chloranyl-4-oxidanylidene-azetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxidanylidene-quinazoline-6-sulfonic acid Openeye Name: 3-[4-[[2-(3-bromophenyl)-3-chloro-4-oxo-azetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxo-quinazoline-6-sulfonic acid CAS Name: 3-[4-[[[2-(3-bromophenyl)-3-chloro-4-oxo-1-azetidinyl]amino]-oxomethyl]phenyl]-2-methyl-4-oxo-6-quinazolinesulfonic acid IUPAC Name: 3-[4-[[2-(3-bromophenyl)-3-chloro-4-oxoazetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxoquinazoline-6-sulfonic acid Traditional Name: 3-[4-[[2-(3-bromophenyl)-3-chloro-4-keto-azetidin-1-yl]carbamoyl]phenyl]-4-keto-2-methyl-quinazoline-6-sulfonic acid Formula: C25H18BrClN4O6S MolecularWeight: 617.85562

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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=C5)Br

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=C5)Br

InChI

InChI=1S/C25H18BrClN4O6S/c1-13-28-20-10-9-18(38(35,36)37)12-19(20)24(33)30(13)17-7-5-14(6-8-17)23(32)29-31-22(21(27)25(31)34)15-3-2-4-16(26)11-15/h2-12,21-22H,1H3,(H,29,32)(H,35,36,37)