methyl 2-chloranyl-5-[[4-(4-chloranyl-3-methoxycarbonyl-phenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoate

Systemtic Name: methyl 2-chloranyl-5-[[4-(4-chloranyl-3-methoxycarbonyl-phenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoate Openeye Name: methyl 2-chloro-5-[[4-(4-chloro-3-methoxycarbonyl-phenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoate CAS Name: 2-chloro-5-[[4-(4-chloro-3-methoxycarbonylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[4-(4-chloro-3-methoxycarbonylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoate Traditional Name: 5-[[4-(3-carbomethoxy-4-chloro-phenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-2-chloro-benzoic acid methyl ester Formula: C21H22Cl2N2O8S2 MolecularWeight: 565.44398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OC)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OC)Cl

InChI

InChI=1S/C21H22Cl2N2O8S2/c1-32-20(26)16-12-14(4-6-18(16)22)34(28,29)24-8-3-9-25(11-10-24)35(30,31)15-5-7-19(23)17(13-15)21(27)33-2/h4-7,12-13H,3,8-11H2,1-2H3