3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propanoic acid CAS Name: 3-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propanoic acid Traditional Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]propionic acid Formula: C15H22N2O6S MolecularWeight: 358.40998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)O)OC

InChI

InChI=1S/C15H22N2O6S/c1-22-13-4-3-12(11-14(13)23-2)24(20,21)17-9-7-16(8-10-17)6-5-15(18)19/h3-4,11H,5-10H2,1-2H3,(H,18,19)