methyl 4-chloranyl-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoate

Systemtic Name: methyl 4-chloranyl-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoate Openeye Name: methyl 4-chloro-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoate CAS Name: 4-chloro-3-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[4-(2,5-dimethylphenyl)sulfonylpiperazino]sulfonyl-benzoic acid methyl ester Formula: C20H23ClN2O6S2 MolecularWeight: 486.98942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C20H23ClN2O6S2/c1-14-4-5-15(2)18(12-14)30(25,26)22-8-10-23(11-9-22)31(27,28)19-13-16(20(24)29-3)6-7-17(19)21/h4-7,12-13H,8-11H2,1-3H3