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

Systemtic Name: (3-methylphenyl)methyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: m-tolylmethyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid (3-methylbenzyl) ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-16-4-3-5-18(14-16)15-28-21(25)19-6-8-20(9-7-19)29(26,27)23-12-10-22(11-13-23)17(2)24/h3-9,14H,10-13,15H2,1-2H3