methyl 4-[[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-(4-besylpiperazino)-2-keto-1-methyl-ethyl]thio]methyl]benzoic acid methyl ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H26N2O5S2/c1-17(30-16-18-8-10-19(11-9-18)22(26)29-2)21(25)23-12-14-24(15-13-23)31(27,28)20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3