[4-(2-oxidanylideneethyl)phenyl]sulfonylcarbamic acid; 1H-quinazolin-4-one

Systemtic Name: [4-(2-oxidanylideneethyl)phenyl]sulfonylcarbamic acid; 1H-quinazolin-4-one Openeye Name: [4-(2-oxoethyl)phenyl]sulfonylcarbamic acid; 1H-quinazolin-4-one CAS Name: [4-(2-oxoethyl)phenyl]sulfonylcarbamic acid; 1H-quinazolin-4-one IUPAC Name: [4-(2-oxoethyl)phenyl]sulfonylcarbamic acid; 1H-quinazolin-4-one Traditional Name: [4-(2-ketoethyl)phenyl]sulfonylcarbamic acid; 1H-quinazolin-4-one Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=CN2.C1=CC(=CC=C1CC=O)S(=O)(=O)NC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=CN2.C1=CC(=CC=C1CC=O)S(=O)(=O)NC(=O)O

InChI

InChI=1S/C9H9NO5S.C8H6N2O/c11-6-5-7-1-3-8(4-2-7)16(14,15)10-9(12)13;11-8-6-3-1-2-4-7(6)9-5-10-8/h1-4,6,10H,5H2,(H,12,13);1-5H,(H,9,10,11)