4-[2-(4-phenacylsulfonylpiperazin-1-yl)ethyl]benzoic acid

Systemtic Name: 4-[2-(4-phenacylsulfonylpiperazin-1-yl)ethyl]benzoic acid Openeye Name: 4-[2-(4-phenacylsulfonylpiperazin-1-yl)ethyl]benzoic acid CAS Name: 4-[2-(4-phenacylsulfonyl-1-piperazinyl)ethyl]benzoic acid IUPAC Name: 4-[2-(4-phenacylsulfonylpiperazin-1-yl)ethyl]benzoic acid Traditional Name: 4-[2-(4-phenacylsulfonylpiperazino)ethyl]benzoic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)CC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c24-20(18-4-2-1-3-5-18)16-29(27,28)23-14-12-22(13-15-23)11-10-17-6-8-19(9-7-17)21(25)26/h1-9H,10-16H2,(H,25,26)