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

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-(4-methyl-3-piperidinosulfonyl-phenyl)propionamide Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H26N4O5S/c1-16-9-10-17(15-20(16)33(31,32)26-12-5-2-6-13-26)24-21(28)11-14-27-23(30)19-8-4-3-7-18(19)22(29)25-27/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,24,28)(H,25,29)