[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(2-phenylethanoylamino)benzoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(2-phenylethanoylamino)benzoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-[(2-phenylacetyl)amino]benzoate CAS Name: 2-[(1-oxo-2-phenylethyl)amino]benzoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate Traditional Name: 2-[(2-phenylacetyl)amino]benzoic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O6S/c1-32(29,30)25-13-11-24(12-14-25)21(27)16-31-22(28)18-9-5-6-10-19(18)23-20(26)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,23,26)