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

Systemtic Name: (2-methylphenyl)methyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: o-tolylmethyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid (2-methylbenzyl) ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

InChI

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