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

Systemtic Name: (3-methylphenyl) 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: m-tolyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid m-tolyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-15-5-3-7-18(13-15)27-20(24)17-6-4-8-19(14-17)28(25,26)22-11-9-21(10-12-22)16(2)23/h3-8,13-14H,9-12H2,1-2H3