3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide Openeye Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]propanamide IUPAC Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-[4-(4-ethylpiperazino)sulfonylphenyl]propionamide Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H27N5O5S/c1-2-26-13-15-27(16-14-26)34(32,33)18-9-7-17(8-10-18)24-21(29)11-12-28-23(31)20-6-4-3-5-19(20)22(30)25-28/h3-10H,2,11-16H2,1H3,(H,24,29)(H,25,30)