N-(3-bromophenyl)-4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-amine

Systemtic Name: N-(3-bromophenyl)-4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-amine Openeye Name: N-(3-bromophenyl)-4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-amine CAS Name: N-(3-bromophenyl)-4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinamine IUPAC Name: N-(3-bromophenyl)-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-amine Traditional Name: (3-bromophenyl)-[4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]amine Formula: C26H25BrN4O2S MolecularWeight: 537.4713

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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(=CC=C4)Br)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)Br)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C26H25BrN4O2S/c1-18-12-13-19(16-24(18)34(32,33)31-14-5-2-6-15-31)25-22-10-3-4-11-23(22)26(30-29-25)28-21-9-7-8-20(27)17-21/h3-4,7-13,16-17H,2,5-6,14-15H2,1H3,(H,28,30)