N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-4-keto-3H-phthalazine-1-carboxamide Formula: C19H17ClN4O4S MolecularWeight: 432.88068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)Cl

InChI

InChI=1S/C19H17ClN4O4S/c20-15-8-7-12(11-16(15)29(27,28)24-9-3-4-10-24)21-19(26)17-13-5-1-2-6-14(13)18(25)23-22-17/h1-2,5-8,11H,3-4,9-10H2,(H,21,26)(H,23,25)