N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-yl-phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-yl-phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[3-[(4-methoxyphenyl)sulfamoyl]-4-(1-piperidyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-[(4-methoxyphenyl)sulfamoyl]-4-(1-piperidinyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidino-phenyl]-3H-phthalazine-1-carboxamide Formula: C27H27N5O5S MolecularWeight: 533.59878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)N5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)N5CCCCC5

InChI

InChI=1S/C27H27N5O5S/c1-37-20-12-9-18(10-13-20)31-38(35,36)24-17-19(11-14-23(24)32-15-5-2-6-16-32)28-27(34)25-21-7-3-4-8-22(21)26(33)30-29-25/h3-4,7-14,17,31H,2,5-6,15-16H2,1H3,(H,28,34)(H,30,33)