methyl 4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-(4-benzylsulfonylpiperazine-1-carbonyl)benzoate CAS Name: 4-[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylsulfonylpiperazine-1-carbonyl)benzoate Traditional Name: 4-(4-benzylsulfonylpiperazine-1-carbonyl)benzoic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-27-20(24)18-9-7-17(8-10-18)19(23)21-11-13-22(14-12-21)28(25,26)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3