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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H24N2O5S/c1-3-17-7-9-19(10-8-17)28-21(25)18-5-4-6-20(15-18)29(26,27)23-13-11-22(12-14-23)16(2)24/h4-10,15H,3,11-14H2,1-2H3