4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide CAS Name: 4-[[4-(4-methoxyphenyl)-1-phthalazinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H18N4O3S/c1-28-16-10-6-14(7-11-16)20-18-4-2-3-5-19(18)21(25-24-20)23-15-8-12-17(13-9-15)29(22,26)27/h2-13H,1H3,(H,23,25)(H2,22,26,27)