methyl 4-chloranyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: methyl 4-chloranyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoate Openeye Name: methyl 4-chloro-3-(3-oxopiperazin-1-yl)sulfonyl-benzoate CAS Name: 4-chloro-3-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-(3-oxopiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-ketopiperazino)sulfonyl-benzoic acid methyl ester Formula: C12H13ClN2O5S MolecularWeight: 332.76002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCNC(=O)C2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCNC(=O)C2

InChI

InChI=1S/C12H13ClN2O5S/c1-20-12(17)8-2-3-9(13)10(6-8)21(18,19)15-5-4-14-11(16)7-15/h2-3,6H,4-5,7H2,1H3,(H,14,16)