(4-chloranyl-2-methyl-phenyl) 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (4-chloro-2-methyl-phenyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid (4-chloro-2-methyl-phenyl) ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C20H21ClN2O5S/c1-14-12-17(21)6-7-19(14)28-20(25)16-4-3-5-18(13-16)29(26,27)23-10-8-22(9-11-23)15(2)24/h3-7,12-13H,8-11H2,1-2H3