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

Systemtic Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]carbonyl-2-propyl-phthalazin-1-one Openeye Name: 4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2-propyl-phthalazin-1-one CAS Name: 4-[[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-propyl-1-phthalazinone IUPAC Name: 4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2-propylphthalazin-1-one Traditional Name: 4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2-propyl-phthalazin-1-one Formula: C22H23ClN4O4S MolecularWeight: 474.96042

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O4S/c1-2-11-27-21(28)19-6-4-3-5-18(19)20(24-27)22(29)25-12-14-26(15-13-25)32(30,31)17-9-7-16(23)8-10-17/h3-10H,2,11-15H2,1H3