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

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C22H23ClN4O4S MolecularWeight: 474.96042

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

InChI

InChI=1S/C22H23ClN4O4S/c1-2-27-22(29)17-9-5-4-8-16(17)20(25-27)21(28)24-19-14-15(10-11-18(19)23)32(30,31)26-12-6-3-7-13-26/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,24,28)