2-[4-(4-methanoyl-2,5-dimethyl-phenyl)piperazin-1-yl]ethanesulfonic acid

Systemtic Name: 2-[4-(4-methanoyl-2,5-dimethyl-phenyl)piperazin-1-yl]ethanesulfonic acid Openeye Name: 2-[4-(4-formyl-2,5-dimethyl-phenyl)piperazin-1-yl]ethanesulfonic acid CAS Name: 2-[4-(4-formyl-2,5-dimethylphenyl)-1-piperazinyl]ethanesulfonic acid IUPAC Name: 2-[4-(4-formyl-2,5-dimethylphenyl)piperazin-1-yl]ethanesulfonic acid Traditional Name: 2-[4-(4-formyl-2,5-dimethyl-phenyl)piperazino]ethanesulfonic acid Formula: C15H22N2O4S MolecularWeight: 326.41118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=O)C)N2CCN(CC2)CCS(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1C=O)C)N2CCN(CC2)CCS(=O)(=O)O

InChI

InChI=1S/C15H22N2O4S/c1-12-10-15(13(2)9-14(12)11-18)17-5-3-16(4-6-17)7-8-22(19,20)21/h9-11H,3-8H2,1-2H3,(H,19,20,21)