N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

InChI

InChI=1S/C21H21ClN4O4S/c1-25-21(28)16-8-4-3-7-15(16)19(24-25)20(27)23-18-13-14(9-10-17(18)22)31(29,30)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,23,27)