4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbonyl-2-propyl-phthalazin-1-one

Systemtic Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbonyl-2-propyl-phthalazin-1-one Openeye Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]-2-propyl-phthalazin-1-one CAS Name: 4-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-propyl-1-phthalazinone IUPAC Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]-2-propylphthalazin-1-one Traditional Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]-2-propyl-phthalazin-1-one Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H32N4O4S/c1-5-14-30-24(31)22-9-7-6-8-21(22)23(27-30)25(32)28-15-17-29(18-16-28)35(33,34)20-12-10-19(11-13-20)26(2,3)4/h6-13H,5,14-18H2,1-4H3