methyl 4-[4-(phenylsulfonyl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(phenylsulfonyl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzoate Traditional Name: 4-(4-besylpiperazine-1-carbonyl)benzoic acid methyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-26-19(23)16-9-7-15(8-10-16)18(22)20-11-13-21(14-12-20)27(24,25)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3