4-[4-(furan-2-yl)phenyl]-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid

Systemtic Name: 4-[4-(furan-2-yl)phenyl]-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid Openeye Name: 4-[4-(2-furyl)phenyl]-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid CAS Name: 4-[4-(2-furanyl)phenyl]-3-methyl-2-(1-piperazinylsulfonylmethyl)butanoic acid IUPAC Name: 4-[4-(furan-2-yl)phenyl]-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid Traditional Name: 4-[4-(2-furyl)phenyl]-3-methyl-2-(piperazinosulfonylmethyl)butyric acid Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C2=CC=CO2)C(CS(=O)(=O)N3CCNCC3)C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C2=CC=CO2)C(CS(=O)(=O)N3CCNCC3)C(=O)O

InChI

InChI=1S/C20H26N2O5S/c1-15(13-16-4-6-17(7-5-16)19-3-2-12-27-19)18(20(23)24)14-28(25,26)22-10-8-21-9-11-22/h2-7,12,15,18,21H,8-11,13-14H2,1H3,(H,23,24)