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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)C2=CC=C(S2)Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)C2=CC=C(S2)Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21ClN2O4S2/c20-18-8-7-17(27-18)16(23)6-9-19(24)21-10-12-22(13-11-21)28(25,26)14-15-4-2-1-3-5-15/h1-5,7-8H,6,9-14H2