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

Systemtic Name: N,N,2-trimethyl-5-[4-[(4-sulfamoylphenyl)amino]phthalazin-1-yl]benzenesulfonamide Openeye Name: N,N,2-trimethyl-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide CAS Name: N,N,2-trimethyl-5-[4-(4-sulfamoylanilino)-1-phthalazinyl]benzenesulfonamide IUPAC Name: N,N,2-trimethyl-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide Traditional Name: N,N,2-trimethyl-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide Formula: C23H23N5O4S2 MolecularWeight: 497.58982

Click to see the large picture

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)N(C)C

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)N(C)C

InChI

InChI=1S/C23H23N5O4S2/c1-15-8-9-16(14-21(15)34(31,32)28(2)3)22-19-6-4-5-7-20(19)23(27-26-22)25-17-10-12-18(13-11-17)33(24,29)30/h4-14H,1-3H3,(H,25,27)(H2,24,29,30)