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

Systemtic Name: 3-[4-[[3-chloranyl-2-oxidanylidene-4-(3-phenoxyphenyl)azetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxidanylidene-quinazoline-6-sulfonic acid Openeye Name: 3-[4-[[3-chloro-2-oxo-4-(3-phenoxyphenyl)azetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxo-quinazoline-6-sulfonic acid CAS Name: 3-[4-[[[3-chloro-2-oxo-4-(3-phenoxyphenyl)-1-azetidinyl]amino]-oxomethyl]phenyl]-2-methyl-4-oxo-6-quinazolinesulfonic acid IUPAC Name: 3-[4-[[3-chloro-2-oxo-4-(3-phenoxyphenyl)azetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxoquinazoline-6-sulfonic acid Traditional Name: 3-[4-[[3-chloro-2-keto-4-(3-phenoxyphenyl)azetidin-1-yl]carbamoyl]phenyl]-4-keto-2-methyl-quinazoline-6-sulfonic acid Formula: C31H23ClN4O7S MolecularWeight: 631.05492

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(=CC=C5)OC6=CC=CC=C6

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)OC6=CC=CC=C6

InChI

InChI=1S/C31H23ClN4O7S/c1-18-33-26-15-14-24(44(40,41)42)17-25(26)30(38)35(18)21-12-10-19(11-13-21)29(37)34-36-28(27(32)31(36)39)20-6-5-9-23(16-20)43-22-7-3-2-4-8-22/h2-17,27-28H,1H3,(H,34,37)(H,40,41,42)