N-(1,3-benzodioxol-5-yl)-4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-amine CAS Name: N-(1,3-benzodioxol-5-yl)-4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-amine Traditional Name: 1,3-benzodioxol-5-yl-[4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]amine Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)S(=O)(=O)N6CCCCC6

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)S(=O)(=O)N6CCCCC6

InChI

InChI=1S/C27H26N4O4S/c1-18-9-10-19(15-25(18)36(32,33)31-13-5-2-6-14-31)26-21-7-3-4-8-22(21)27(30-29-26)28-20-11-12-23-24(16-20)35-17-34-23/h3-4,7-12,15-16H,2,5-6,13-14,17H2,1H3,(H,28,30)