methyl 5-[[1,4-bis(phenylsulfonyl)piperazin-2-yl]carbonylamino]-2-chloranyl-benzoate

Systemtic Name: methyl 5-[[1,4-bis(phenylsulfonyl)piperazin-2-yl]carbonylamino]-2-chloranyl-benzoate Openeye Name: methyl 5-[[1,4-bis(benzenesulfonyl)piperazine-2-carbonyl]amino]-2-chloro-benzoate CAS Name: 5-[[[1,4-bis(benzenesulfonyl)-2-piperazinyl]-oxomethyl]amino]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-[[1,4-bis(benzenesulfonyl)piperazine-2-carbonyl]amino]-2-chlorobenzoate Traditional Name: 2-chloro-5-[(1,4-dibesylpiperazine-2-carbonyl)amino]benzoic acid methyl ester Formula: C25H24ClN3O7S2 MolecularWeight: 578.05696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O7S2/c1-36-25(31)21-16-18(12-13-22(21)26)27-24(30)23-17-28(37(32,33)19-8-4-2-5-9-19)14-15-29(23)38(34,35)20-10-6-3-7-11-20/h2-13,16,23H,14-15,17H2,1H3,(H,27,30)