2-methyl-N-(oxolan-2-ylmethyl)-5-[4-[(4-sulfamoylphenyl)amino]phthalazin-1-yl]benzenesulfonamide

Systemtic Name: 2-methyl-N-(oxolan-2-ylmethyl)-5-[4-[(4-sulfamoylphenyl)amino]phthalazin-1-yl]benzenesulfonamide Openeye Name: 2-methyl-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide CAS Name: 2-methyl-N-(2-oxolanylmethyl)-5-[4-(4-sulfamoylanilino)-1-phthalazinyl]benzenesulfonamide IUPAC Name: 2-methyl-N-(oxolan-2-ylmethyl)-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide Traditional Name: 2-methyl-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]-N-(tetrahydrofurfuryl)benzenesulfonamide Formula: C26H27N5O5S2 MolecularWeight: 553.65308

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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)NCC5CCCO5

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)NCC5CCCO5

InChI

InChI=1S/C26H27N5O5S2/c1-17-8-9-18(15-24(17)38(34,35)28-16-20-5-4-14-36-20)25-22-6-2-3-7-23(22)26(31-30-25)29-19-10-12-21(13-11-19)37(27,32)33/h2-3,6-13,15,20,28H,4-5,14,16H2,1H3,(H,29,31)(H2,27,32,33)