N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-keto-3H-phthalazin-1-yl)acetamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

InChI

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