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

Systemtic Name: 2-[3-[(4-methylsulfonylpiperazin-1-yl)-phenyl-methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[(4-methylsulfonylpiperazin-1-yl)-phenyl-methyl]phenyl]acetic acid CAS Name: 2-[3-[(4-methylsulfonyl-1-piperazinyl)-phenylmethyl]phenyl]acetic acid IUPAC Name: 2-[3-[(4-methylsulfonylpiperazin-1-yl)-phenylmethyl]phenyl]acetic acid Traditional Name: 2-[3-[(4-mesylpiperazino)-phenyl-methyl]phenyl]acetic acid Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C20H24N2O4S/c1-27(25,26)22-12-10-21(11-13-22)20(17-7-3-2-4-8-17)18-9-5-6-16(14-18)15-19(23)24/h2-9,14,20H,10-13,15H2,1H3,(H,23,24)