4-[4-[(4-sulfamoylphenyl)amino]phthalazin-1-yl]benzamide

Systemtic Name: 4-[4-[(4-sulfamoylphenyl)amino]phthalazin-1-yl]benzamide Openeye Name: 4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzamide CAS Name: 4-[4-(4-sulfamoylanilino)-1-phthalazinyl]benzamide IUPAC Name: 4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzamide Traditional Name: 4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzamide Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H17N5O3S/c22-20(27)14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)21(26-25-19)24-15-9-11-16(12-10-15)30(23,28)29/h1-12H,(H2,22,27)(H,24,26)(H2,23,28,29)