methyl 4-[[1,4-bis(phenylsulfonyl)piperazin-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1,4-bis(phenylsulfonyl)piperazin-2-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1,4-bis(benzenesulfonyl)piperazine-2-carbonyl]amino]benzoate CAS Name: 4-[[[1,4-bis(benzenesulfonyl)-2-piperazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1,4-bis(benzenesulfonyl)piperazine-2-carbonyl]amino]benzoate Traditional Name: 4-[(1,4-dibesylpiperazine-2-carbonyl)amino]benzoic acid methyl ester Formula: C25H25N3O7S2 MolecularWeight: 543.6119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O7S2/c1-35-25(30)19-12-14-20(15-13-19)26-24(29)23-18-27(36(31,32)21-8-4-2-5-9-21)16-17-28(23)37(33,34)22-10-6-3-7-11-22/h2-15,23H,16-18H2,1H3,(H,26,29)