4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide CAS Name: 4-[[4-(4-prop-2-ynoxyphenyl)-1-phthalazinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-(4-propargyloxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C#CCOC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C23H18N4O3S/c1-2-15-30-18-11-7-16(8-12-18)22-20-5-3-4-6-21(20)23(27-26-22)25-17-9-13-19(14-10-17)31(24,28)29/h1,3-14H,15H2,(H,25,27)(H2,24,28,29)