4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-N-(phenylmethyl)phthalazin-1-amine

Systemtic Name: 4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-N-(phenylmethyl)phthalazin-1-amine Openeye Name: N-benzyl-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-amine CAS Name: 4-[4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N-(phenylmethyl)-1-phthalazinamine IUPAC Name: N-benzyl-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine Traditional Name: benzyl-[4-[4-methyl-3-(4-methylpiperazino)sulfonyl-phenyl]phthalazin-1-yl]amine Formula: C27H29N5O2S MolecularWeight: 487.61646

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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)N5CCN(CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=CC=CC=C4)S(=O)(=O)N5CCN(CC5)C

InChI

InChI=1S/C27H29N5O2S/c1-20-12-13-22(18-25(20)35(33,34)32-16-14-31(2)15-17-32)26-23-10-6-7-11-24(23)27(30-29-26)28-19-21-8-4-3-5-9-21/h3-13,18H,14-17,19H2,1-2H3,(H,28,30)