2-[4-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]ethanoic acid Openeye Name: 2-[4-[4-(benzenesulfonyl)piperazin-1-yl]phenyl]acetic acid CAS Name: 2-[4-[4-(benzenesulfonyl)-1-piperazinyl]phenyl]acetic acid IUPAC Name: 2-[4-[4-(benzenesulfonyl)piperazin-1-yl]phenyl]acetic acid Traditional Name: 2-[4-(4-besylpiperazino)phenyl]acetic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S/c21-18(22)14-15-6-8-16(9-7-15)19-10-12-20(13-11-19)25(23,24)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,21,22)