ethyl 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(4-tosylpiperazino)acetyl]amino]benzoic acid ethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H27N3O5S/c1-3-30-22(27)18-6-8-19(9-7-18)23-21(26)16-24-12-14-25(15-13-24)31(28,29)20-10-4-17(2)5-11-20/h4-11H,3,12-16H2,1-2H3,(H,23,26)