N,2-dimethyl-5-[4-[(4-sulfamoylphenyl)amino]phthalazin-1-yl]benzenesulfonamide

Systemtic Name: N,2-dimethyl-5-[4-[(4-sulfamoylphenyl)amino]phthalazin-1-yl]benzenesulfonamide Openeye Name: N,2-dimethyl-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide CAS Name: N,2-dimethyl-5-[4-(4-sulfamoylanilino)-1-phthalazinyl]benzenesulfonamide IUPAC Name: N,2-dimethyl-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide Traditional Name: N,2-dimethyl-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide Formula: C22H21N5O4S2 MolecularWeight: 483.56324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)S(=O)(=O)N)S(=O)(=O)NC

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)S(=O)(=O)N)S(=O)(=O)NC

InChI

InChI=1S/C22H21N5O4S2/c1-14-7-8-15(13-20(14)33(30,31)24-2)21-18-5-3-4-6-19(18)22(27-26-21)25-16-9-11-17(12-10-16)32(23,28)29/h3-13,24H,1-2H3,(H,25,27)(H2,23,28,29)