4-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-2-propyl-phthalazin-1-one

Systemtic Name: 4-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-2-propyl-phthalazin-1-one Openeye Name: 4-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]-2-propyl-phthalazin-1-one CAS Name: 4-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]-2-propyl-1-phthalazinone IUPAC Name: 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-propylphthalazin-1-one Traditional Name: 4-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]-2-propyl-phthalazin-1-one Formula: C20H21ClN4O4S2 MolecularWeight: 480.98814

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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(S4)Cl

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H21ClN4O4S2/c1-2-9-25-19(26)15-6-4-3-5-14(15)18(22-25)20(27)23-10-12-24(13-11-23)31(28,29)17-8-7-16(21)30-17/h3-8H,2,9-13H2,1H3