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

Systemtic Name: 2-pentyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-pentyl-4-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]-2-pentyl-1-phthalazinone IUPAC Name: 2-pentyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-amyl-4-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]phthalazin-1-one Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O4S/c1-2-3-9-15-30-25(31)23-13-8-7-12-22(23)24(27-30)26(32)28-16-18-29(19-17-28)35(33,34)20-14-21-10-5-4-6-11-21/h4-8,10-14,20H,2-3,9,15-19H2,1H3/b20-14+