3-(3-aminophenyl)sulfonyl-7-chloranyl-1H-quinazoline-2,4-dione; methanesulfonic acid

Systemtic Name: 3-(3-aminophenyl)sulfonyl-7-chloranyl-1H-quinazoline-2,4-dione; methanesulfonic acid Openeye Name: 3-(3-aminophenyl)sulfonyl-7-chloro-1H-quinazoline-2,4-dione; methanesulfonic acid CAS Name: 3-(3-aminophenyl)sulfonyl-7-chloro-1H-quinazoline-2,4-dione; methanesulfonic acid IUPAC Name: 3-(3-aminophenyl)sulfonyl-7-chloro-1H-quinazoline-2,4-dione; methanesulfonic acid Traditional Name: 3-(3-aminophenyl)sulfonyl-7-chloro-1H-quinazoline-2,4-quinone; mesylic acid Formula: C15H14ClN3O7S2 MolecularWeight: 447.87056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=CC(=C1)S(=O)(=O)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=O)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=CC(=C1)S(=O)(=O)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=O)N

InChI

InChI=1S/C14H10ClN3O4S.CH4O3S/c15-8-4-5-11-12(6-8)17-14(20)18(13(11)19)23(21,22)10-3-1-2-9(16)7-10;1-5(2,3)4/h1-7H,16H2,(H,17,20);1H3,(H,2,3,4)