2-[3-[phenyl-[4-(phenylsulfonyl)piperazin-1-yl]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[phenyl-[4-(phenylsulfonyl)piperazin-1-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[4-(benzenesulfonyl)piperazin-1-yl]-phenyl-methyl]phenyl]acetic acid CAS Name: 2-[3-[[4-(benzenesulfonyl)-1-piperazinyl]-phenylmethyl]phenyl]acetic acid IUPAC Name: 2-[3-[[4-(benzenesulfonyl)piperazin-1-yl]-phenylmethyl]phenyl]acetic acid Traditional Name: 2-[3-[(4-besylpiperazino)-phenyl-methyl]phenyl]acetic acid Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC(=C3)CC(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC(=C3)CC(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4S/c28-24(29)19-20-8-7-11-22(18-20)25(21-9-3-1-4-10-21)26-14-16-27(17-15-26)32(30,31)23-12-5-2-6-13-23/h1-13,18,25H,14-17,19H2,(H,28,29)