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

Systemtic Name: 3-[4-[(3-chloranyl-2-oxidanylidene-4-phenyl-azetidin-1-yl)carbamoyl]phenyl]-2-methyl-4-oxidanylidene-quinazoline-6-sulfonic acid Openeye Name: 3-[4-[(3-chloro-2-oxo-4-phenyl-azetidin-1-yl)carbamoyl]phenyl]-2-methyl-4-oxo-quinazoline-6-sulfonic acid CAS Name: 3-[4-[[(3-chloro-2-oxo-4-phenyl-1-azetidinyl)amino]-oxomethyl]phenyl]-2-methyl-4-oxo-6-quinazolinesulfonic acid IUPAC Name: 3-[4-[(3-chloro-2-oxo-4-phenylazetidin-1-yl)carbamoyl]phenyl]-2-methyl-4-oxoquinazoline-6-sulfonic acid Traditional Name: 3-[4-[(3-chloro-2-keto-4-phenyl-azetidin-1-yl)carbamoyl]phenyl]-4-keto-2-methyl-quinazoline-6-sulfonic acid Formula: C25H19ClN4O6S MolecularWeight: 538.95956

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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

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

InChI

InChI=1S/C25H19ClN4O6S/c1-14-27-20-12-11-18(37(34,35)36)13-19(20)24(32)29(14)17-9-7-16(8-10-17)23(31)28-30-22(21(26)25(30)33)15-5-3-2-4-6-15/h2-13,21-22H,1H3,(H,28,31)(H,34,35,36)