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

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxamide Formula: C21H21ClN4O5S MolecularWeight: 476.93324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O5S/c22-17-8-7-14(13-18(17)32(30,31)25-9-3-4-10-25)23-20(28)19-15-5-1-2-6-16(15)21(29)26(24-19)11-12-27/h1-2,5-8,13,27H,3-4,9-12H2,(H,23,28)