methyl 4-[4-(4-methoxycarbonylphenyl)sulfonyl-3-methyl-piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[4-(4-methoxycarbonylphenyl)sulfonyl-3-methyl-piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[4-(4-methoxycarbonylphenyl)sulfonyl-3-methyl-piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(4-methoxycarbonylphenyl)sulfonyl-3-methyl-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-methoxycarbonylphenyl)sulfonyl-3-methylpiperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(4-carbomethoxyphenyl)sulfonyl-3-methyl-piperazino]sulfonylbenzoic acid methyl ester Formula: C21H24N2O8S2 MolecularWeight: 496.55386

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C(=O)OC

InChI

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