3-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-yl]amino]phenol

Systemtic Name: 3-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-yl]amino]phenol Openeye Name: 3-[[4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-yl]amino]phenol CAS Name: 3-[[4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinyl]amino]phenol IUPAC Name: 3-[[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol Traditional Name: 3-[[4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]amino]phenol Formula: C26H26N4O3S MolecularWeight: 474.57464

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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)O)S(=O)(=O)N5CCCCC5

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3S/c1-18-12-13-19(16-24(18)34(32,33)30-14-5-2-6-15-30)25-22-10-3-4-11-23(22)26(29-28-25)27-20-8-7-9-21(31)17-20/h3-4,7-13,16-17,31H,2,5-6,14-15H2,1H3,(H,27,29)