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

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-4-keto-3H-phthalazine-1-carboxamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22N4O5S/c1-2-30-17-10-9-14(13-18(17)31(28,29)25-11-5-6-12-25)22-21(27)19-15-7-3-4-8-16(15)20(26)24-23-19/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,22,27)(H,24,26)