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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(5-chloro-2-thienyl)-4-[4-(p-tolylsulfonyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(5-chloro-2-thiophenyl)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(5-chlorothiophen-2-yl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(5-chloro-2-thienyl)-4-(4-tosylpiperazino)butane-1,4-dione Formula: C19H21ClN2O4S2 MolecularWeight: 440.96404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C19H21ClN2O4S2/c1-14-2-4-15(5-3-14)28(25,26)22-12-10-21(11-13-22)19(24)9-6-16(23)17-7-8-18(20)27-17/h2-5,7-8H,6,9-13H2,1H3