cyclohexylmethyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: cyclohexylmethyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: cyclohexylmethyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid cyclohexylmethyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3CCCCC3

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3CCCCC3

InChI

InChI=1S/C20H28N2O5S/c1-16(23)21-10-12-22(13-11-21)28(25,26)19-9-5-8-18(14-19)20(24)27-15-17-6-3-2-4-7-17/h5,8-9,14,17H,2-4,6-7,10-13,15H2,1H3