3-(2-methylpropyl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(2-methylpropyl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-[5-(4-nitrophenyl)sulfonylthiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(5-nosylthiazol-2-yl)phthalazine-1-carboxamide Formula: C22H19N5O6S2 MolecularWeight: 513.54616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O6S2/c1-13(2)12-26-21(29)17-6-4-3-5-16(17)19(25-26)20(28)24-22-23-11-18(34-22)35(32,33)15-9-7-14(8-10-15)27(30)31/h3-11,13H,12H2,1-2H3,(H,23,24,28)