methyl 4-chloranyl-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoate

Systemtic Name: methyl 4-chloranyl-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoate Openeye Name: methyl 4-chloro-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoate CAS Name: 4-chloro-3-[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[4-(4-methoxyphenyl)sulfonylpiperazino]sulfonyl-benzoic acid methyl ester Formula: C19H21ClN2O7S2 MolecularWeight: 488.96224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C19H21ClN2O7S2/c1-28-15-4-6-16(7-5-15)30(24,25)21-9-11-22(12-10-21)31(26,27)18-13-14(19(23)29-2)3-8-17(18)20/h3-8,13H,9-12H2,1-2H3