1-[4-(phenylsulfonyl)piperazin-1-yl]-4-(2-thiophen-3-ylpyrrolidin-1-yl)butane-1,4-dione

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-4-(2-thiophen-3-ylpyrrolidin-1-yl)butane-1,4-dione Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-[2-(3-thienyl)pyrrolidin-1-yl]butane-1,4-dione CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-4-[2-(3-thiophenyl)-1-pyrrolidinyl]butane-1,4-dione IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(2-thiophen-3-ylpyrrolidin-1-yl)butane-1,4-dione Traditional Name: 1-(4-besylpiperazino)-4-[2-(3-thienyl)pyrrolidino]butane-1,4-dione Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CSC=C4

InChI

InChI=1S/C22H27N3O4S2/c26-21(8-9-22(27)25-11-4-7-20(25)18-10-16-30-17-18)23-12-14-24(15-13-23)31(28,29)19-5-2-1-3-6-19/h1-3,5-6,10,16-17,20H,4,7-9,11-15H2