N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(5-morpholinosulfonyl-2-thienyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[[5-(4-morpholinylsulfonyl)-2-thiophenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(5-morpholinosulfonyl-2-thienyl)methyl]-3H-phthalazine-1-carboxamide Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H18N4O5S2/c23-17-14-4-2-1-3-13(14)16(20-21-17)18(24)19-11-12-5-6-15(28-12)29(25,26)22-7-9-27-10-8-22/h1-6H,7-11H2,(H,19,24)(H,21,23)