3-[4-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[4-(benzenesulfonyl)piperazin-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[4-(benzenesulfonyl)-1-piperazinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-(benzenesulfonyl)piperazin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-(4-besylpiperazino)phenyl]propionic acid Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4S/c22-19(23)11-8-16-6-9-17(10-7-16)20-12-14-21(15-13-20)26(24,25)18-4-2-1-3-5-18/h1-7,9-10H,8,11-15H2,(H,22,23)