4,6-dimethoxy-N1,N3-bis[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]benzene-1,3-disulfonamide

Systemtic Name: 4,6-dimethoxy-N1,N3-bis[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]benzene-1,3-disulfonamide Openeye Name: N1,N3-bis[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4,6-dimethoxy-benzene-1,3-disulfonamide CAS Name: 4,6-dimethoxy-N1,N3-bis[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]benzene-1,3-disulfonamide IUPAC Name: 1-N,3-N-bis[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4,6-dimethoxybenzene-1,3-disulfonamide Traditional Name: N,N'-bis[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4,6-dimethoxy-benzene-1,3-disulfonamide Formula: C44H48N6O8S2 MolecularWeight: 853.01732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)S(=O)(=O)NC5=CC=C(C=C5)C(=O)N6CCN(CC6)CC7=CC=CC=C7)OC

Isomeric SMILES

COC1=CC(=C(C=C1S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)S(=O)(=O)NC5=CC=C(C=C5)C(=O)N6CCN(CC6)CC7=CC=CC=C7)OC

InChI

InChI=1S/C44H48N6O8S2/c1-57-39-29-40(58-2)42(60(55,56)46-38-19-15-36(16-20-38)44(52)50-27-23-48(24-28-50)32-34-11-7-4-8-12-34)30-41(39)59(53,54)45-37-17-13-35(14-18-37)43(51)49-25-21-47(22-26-49)31-33-9-5-3-6-10-33/h3-20,29-30,45-46H,21-28,31-32H2,1-2H3