methyl 3-bromanyl-4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethoxy]benzoate Openeye Name: methyl 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethoxy]-3-bromo-benzoate CAS Name: 4-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethoxy]-3-bromobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]-3-bromobenzoate Traditional Name: 4-[2-(4-besylpiperazino)-2-keto-ethoxy]-3-bromo-benzoic acid methyl ester Formula: C20H21BrN2O6S MolecularWeight: 497.35954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O6S/c1-28-20(25)15-7-8-18(17(21)13-15)29-14-19(24)22-9-11-23(12-10-22)30(26,27)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3