N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C22H23ClN4O4S MolecularWeight: 474.96042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H23ClN4O4S/c1-14(2)27-22(29)17-8-4-3-7-16(17)20(25-27)21(28)24-15-9-10-18(23)19(13-15)32(30,31)26-11-5-6-12-26/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3,(H,24,28)