1-[4-methoxy-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-phenyl]pyrrolidine-2,5-dione

Systemtic Name: 1-[4-methoxy-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-phenyl]pyrrolidine-2,5-dione Openeye Name: 1-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methoxy-phenyl]pyrrolidine-2,5-dione CAS Name: 1-[4-methoxy-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]pyrrolidine-2,5-dione IUPAC Name: 1-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methoxyphenyl]pyrrolidine-2,5-dione Traditional Name: 1-[3-(4-benzylpiperazino)sulfonyl-4-methoxy-phenyl]pyrrolidine-2,5-quinone Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)CCC2=O)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)CCC2=O)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O5S/c1-30-19-8-7-18(25-21(26)9-10-22(25)27)15-20(19)31(28,29)24-13-11-23(12-14-24)16-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3