methyl 4-[[4-(4-methoxycarbonylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoate

Systemtic Name: methyl 4-[[4-(4-methoxycarbonylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoate Openeye Name: methyl 4-[[4-(4-methoxycarbonylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoate CAS Name: 4-[[4-(4-methoxycarbonylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methoxycarbonylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoate Traditional Name: 4-[[4-(4-carbomethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester Formula: C21H24N2O8S2 MolecularWeight: 496.55386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O8S2/c1-30-20(24)16-4-8-18(9-5-16)32(26,27)22-12-3-13-23(15-14-22)33(28,29)19-10-6-17(7-11-19)21(25)31-2/h4-11H,3,12-15H2,1-2H3