methyl 4-piperazin-1-ylsulfonylbenzoate hydrochloride

Systemtic Name: methyl 4-piperazin-1-ylsulfonylbenzoate hydrochloride Openeye Name: methyl 4-piperazin-1-ylsulfonylbenzoate hydrochloride CAS Name: 4-(1-piperazinylsulfonyl)benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-piperazin-1-ylsulfonylbenzoate hydrochloride Traditional Name: 4-piperazinosulfonylbenzoic acid methyl ester hydrochloride Formula: C12H17ClN2O4S MolecularWeight: 320.79238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4S.ClH/c1-18-12(15)10-2-4-11(5-3-10)19(16,17)14-8-6-13-7-9-14;/h2-5,13H,6-9H2,1H3;1H