methyl 3-[4-(2-cyclopentylethanoyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-(2-cyclopentylethanoyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(2-cyclopentyl-1-oxoethyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(2-cyclopentylacetyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3CCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3CCCC3

InChI

InChI=1S/C19H26N2O5S/c1-26-19(23)16-7-4-8-17(14-16)27(24,25)21-11-9-20(10-12-21)18(22)13-15-5-2-3-6-15/h4,7-8,14-15H,2-3,5-6,9-13H2,1H3