methyl 3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-(4-benzylsulfonylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-(4-benzylsulfonylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylsulfonylpiperazino)sulfonylbenzoic acid methyl ester Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O6S2/c1-27-19(22)17-8-5-9-18(14-17)29(25,26)21-12-10-20(11-13-21)28(23,24)15-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3