methyl 4-chloranyl-3-[(2R)-2-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]sulfonyl-benzoate

Systemtic Name: methyl 4-chloranyl-3-[(2R)-2-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]sulfonyl-benzoate Openeye Name: methyl 4-chloro-3-[(2R)-2-(2-methoxy-2-oxo-ethyl)-3-oxo-piperazin-1-yl]sulfonyl-benzoate CAS Name: 4-chloro-3-[[(2R)-2-(2-methoxy-2-oxoethyl)-3-oxo-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(2R)-2-(2-methoxy-2-oxoethyl)-3-oxopiperazin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(2R)-3-keto-2-(2-keto-2-methoxy-ethyl)piperazino]sulfonyl-benzoic acid methyl ester Formula: C15H17ClN2O7S MolecularWeight: 404.82268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC)Cl

Isomeric SMILES

COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC)Cl

InChI

InChI=1S/C15H17ClN2O7S/c1-24-13(19)8-11-14(20)17-5-6-18(11)26(22,23)12-7-9(15(21)25-2)3-4-10(12)16/h3-4,7,11H,5-6,8H2,1-2H3,(H,17,20)/t11-/m1/s1