(3-chlorophenyl)methyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (3-chlorophenyl)methyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (3-chlorophenyl)methyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid (3-chlorobenzyl) ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H21ClN2O5S/c1-15(24)22-8-10-23(11-9-22)29(26,27)19-7-3-5-17(13-19)20(25)28-14-16-4-2-6-18(21)12-16/h2-7,12-13H,8-11,14H2,1H3