ethyl 4-[4-(2-cyclohexylethanoyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(2-cyclohexylethanoyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2-cyclohexylacetyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(2-cyclohexyl-1-oxoethyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-cyclohexylacetyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-cyclohexylacetyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3CCCCC3

InChI

InChI=1S/C21H30N2O5S/c1-2-28-21(25)18-8-10-19(11-9-18)29(26,27)23-14-12-22(13-15-23)20(24)16-17-6-4-3-5-7-17/h8-11,17H,2-7,12-16H2,1H3