methyl 4-chloranyl-3-piperazin-1-ylsulfonyl-benzoate

Systemtic Name: methyl 4-chloranyl-3-piperazin-1-ylsulfonyl-benzoate Openeye Name: methyl 4-chloro-3-piperazin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-piperazinylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-piperazin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperazinosulfonyl-benzoic acid methyl ester Formula: C12H15ClN2O4S MolecularWeight: 318.7765

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCNCC2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCNCC2

InChI

InChI=1S/C12H15ClN2O4S/c1-19-12(16)9-2-3-10(13)11(8-9)20(17,18)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3