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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1,4-diketo-3H-phthalazin-2-yl)acetamide Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N4O5S/c1-16-10-11-17(14-20(16)33(31,32)26-12-6-2-3-7-13-26)24-21(28)15-27-23(30)19-9-5-4-8-18(19)22(29)25-27/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,24,28)(H,25,29)