N-[3-methoxy-4-(methylsulfonylamino)phenyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[3-methoxy-4-(methylsulfonylamino)phenyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: 3-isopropyl-N-[4-(methanesulfonamido)-3-methoxy-phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-[4-(methanesulfonamido)-3-methoxy-phenyl]phthalazine-1-carboxamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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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)NS(=O)(=O)C)OC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)NS(=O)(=O)C)OC

InChI

InChI=1S/C20H22N4O5S/c1-12(2)24-20(26)15-8-6-5-7-14(15)18(22-24)19(25)21-13-9-10-16(17(11-13)29-3)23-30(4,27)28/h5-12,23H,1-4H3,(H,21,25)