3-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]propanoic acid CAS Name: 3-[4-(2-methoxy-5-methylphenyl)sulfonyl-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]propanoic acid Traditional Name: 3-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazino]propionic acid Formula: C15H22N2O5S MolecularWeight: 342.41058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C15H22N2O5S/c1-12-3-4-13(22-2)14(11-12)23(20,21)17-9-7-16(8-10-17)6-5-15(18)19/h3-4,11H,5-10H2,1-2H3,(H,18,19)