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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC=CO3)C(=O)O

Isomeric SMILES

CC(C)C(CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC=CO3)C(=O)O

InChI

InChI=1S/C20H26N2O5S/c1-15(2)18(20(23)24)14-28(25,26)22-11-9-21(10-12-22)17-7-5-16(6-8-17)19-4-3-13-27-19/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,23,24)