2-methyl-5-[4-[(4-piperidin-1-ylcarbonylphenyl)amino]phthalazin-1-yl]benzenesulfonamide

Systemtic Name: 2-methyl-5-[4-[(4-piperidin-1-ylcarbonylphenyl)amino]phthalazin-1-yl]benzenesulfonamide Openeye Name: 2-methyl-5-[4-[4-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]benzenesulfonamide CAS Name: 2-methyl-5-[4-[4-[oxo(1-piperidinyl)methyl]anilino]-1-phthalazinyl]benzenesulfonamide IUPAC Name: 2-methyl-5-[4-[4-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]benzenesulfonamide Traditional Name: 2-methyl-5-[4-[4-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]benzenesulfonamide Formula: C27H27N5O3S MolecularWeight: 501.59998

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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=C(C=C4)C(=O)N5CCCCC5)S(=O)(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O3S/c1-18-9-10-20(17-24(18)36(28,34)35)25-22-7-3-4-8-23(22)26(31-30-25)29-21-13-11-19(12-14-21)27(33)32-15-5-2-6-16-32/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,29,31)(H2,28,34,35)