methyl 4-hexanoyl-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylate

Systemtic Name: methyl 4-hexanoyl-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylate Openeye Name: methyl 4-hexanoyl-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-(1-oxohexyl)-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-hexanoyl-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylate Traditional Name: 4-caproyl-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylic acid methyl ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(C(C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCC(=O)N1CCN(C(C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H28N2O6S/c1-4-5-6-7-18(22)20-12-13-21(17(14-20)19(23)27-3)28(24,25)16-10-8-15(26-2)9-11-16/h8-11,17H,4-7,12-14H2,1-3H3