1-(5-chloranylthiophen-2-yl)-4-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-4-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-4-(5-chloro-2-thienyl)butane-1,4-dione CAS Name: 1-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-4-(5-chloro-2-thiophenyl)butane-1,4-dione IUPAC Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-4-(5-chlorothiophen-2-yl)butane-1,4-dione Traditional Name: 1-[4-(4-acetylphenyl)sulfonylpiperazino]-4-(5-chloro-2-thienyl)butane-1,4-dione Formula: C20H21ClN2O5S2 MolecularWeight: 468.97414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H21ClN2O5S2/c1-14(24)15-2-4-16(5-3-15)30(27,28)23-12-10-22(11-13-23)20(26)9-6-17(25)18-7-8-19(21)29-18/h2-5,7-8H,6,9-13H2,1H3