N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-methyl-1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1-keto-4-methyl-phthalazin-2-yl)acetamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N4O4S/c1-17-20-8-4-5-9-21(20)23(29)27(25-17)16-22(28)24-18-10-12-19(13-11-18)32(30,31)26-14-6-2-3-7-15-26/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,24,28)