2-butyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-butyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-butyl-4-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-butyl-4-[oxo-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-butyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-butyl-4-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]phthalazin-1-one Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4S/c1-2-3-14-29-24(30)22-12-8-7-11-21(22)23(26-29)25(31)27-15-17-28(18-16-27)34(32,33)19-13-20-9-5-4-6-10-20/h4-13,19H,2-3,14-18H2,1H3/b19-13+