2-[2-butoxy-5-(ethylsulfamoyl)phenyl]-4-oxidanylidene-1H-quinazoline-6-carboxylic acid

Systemtic Name: 2-[2-butoxy-5-(ethylsulfamoyl)phenyl]-4-oxidanylidene-1H-quinazoline-6-carboxylic acid Openeye Name: 2-[2-butoxy-5-(ethylsulfamoyl)phenyl]-4-oxo-1H-quinazoline-6-carboxylic acid CAS Name: 2-[2-butoxy-5-(ethylsulfamoyl)phenyl]-4-oxo-1H-quinazoline-6-carboxylic acid IUPAC Name: 2-[2-butoxy-5-(ethylsulfamoyl)phenyl]-4-oxo-1H-quinazoline-6-carboxylic acid Traditional Name: 2-[2-butoxy-5-(ethylsulfamoyl)phenyl]-4-keto-1H-quinazoline-6-carboxylic acid Formula: C21H23N3O6S MolecularWeight: 445.48882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)S(=O)(=O)NCC)C2=NC(=O)C3=C(N2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)S(=O)(=O)NCC)C2=NC(=O)C3=C(N2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C21H23N3O6S/c1-3-5-10-30-18-9-7-14(31(28,29)22-4-2)12-16(18)19-23-17-8-6-13(21(26)27)11-15(17)20(25)24-19/h6-9,11-12,22H,3-5,10H2,1-2H3,(H,26,27)(H,23,24,25)