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

Systemtic Name: 3-[4-[[3-chloranyl-2-(4-dimethylaminophenyl)-4-oxidanylidene-azetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxidanylidene-quinazoline-6-sulfonic acid Openeye Name: 3-[4-[[3-chloro-2-(4-dimethylaminophenyl)-4-oxo-azetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxo-quinazoline-6-sulfonic acid CAS Name: 3-[4-[[[3-chloro-2-(4-dimethylaminophenyl)-4-oxo-1-azetidinyl]amino]-oxomethyl]phenyl]-2-methyl-4-oxo-6-quinazolinesulfonic acid IUPAC Name: 3-[4-[[3-chloro-2-(4-dimethylaminophenyl)-4-oxoazetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxoquinazoline-6-sulfonic acid Traditional Name: 3-[4-[[3-chloro-2-(4-dimethylaminophenyl)-4-keto-azetidin-1-yl]carbamoyl]phenyl]-4-keto-2-methyl-quinazoline-6-sulfonic acid Formula: C27H24ClN5O6S MolecularWeight: 582.02736

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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=C(C=C5)N(C)C

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)N(C)C

InChI

InChI=1S/C27H24ClN5O6S/c1-15-29-22-13-12-20(40(37,38)39)14-21(22)26(35)32(15)19-10-6-17(7-11-19)25(34)30-33-24(23(28)27(33)36)16-4-8-18(9-5-16)31(2)3/h4-14,23-24H,1-3H3,(H,30,34)(H,37,38,39)