N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-[(phenylmethyl)amino]phthalazin-1-yl]benzenesulfonamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-[(phenylmethyl)amino]phthalazin-1-yl]benzenesulfonamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(benzylamino)phthalazin-1-yl]-2-methyl-benzenesulfonamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-[(phenylmethyl)amino]-1-phthalazinyl]benzenesulfonamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(benzylamino)phthalazin-1-yl]-2-methylbenzenesulfonamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(benzylamino)phthalazin-1-yl]-2-methyl-benzenesulfonamide Formula: C30H26N6O2S MolecularWeight: 534.63144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=CC=CC=C4)S(=O)(=O)NCC5=NC6=CC=CC=C6N5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=CC=CC=C4)S(=O)(=O)NCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C30H26N6O2S/c1-20-15-16-22(17-27(20)39(37,38)32-19-28-33-25-13-7-8-14-26(25)34-28)29-23-11-5-6-12-24(23)30(36-35-29)31-18-21-9-3-2-4-10-21/h2-17,32H,18-19H2,1H3,(H,31,36)(H,33,34)