2,2-dimethyl-3-(4-phenylpiperazin-1-yl)sulfonyl-propanoic acid

Systemtic Name: 2,2-dimethyl-3-(4-phenylpiperazin-1-yl)sulfonyl-propanoic acid Openeye Name: 2,2-dimethyl-3-(4-phenylpiperazin-1-yl)sulfonyl-propanoic acid CAS Name: 2,2-dimethyl-3-[(4-phenyl-1-piperazinyl)sulfonyl]propanoic acid IUPAC Name: 2,2-dimethyl-3-(4-phenylpiperazin-1-yl)sulfonylpropanoic acid Traditional Name: 2,2-dimethyl-3-(4-phenylpiperazino)sulfonyl-propionic acid Formula: C15H22N2O4S MolecularWeight: 326.41118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4S/c1-15(2,14(18)19)12-22(20,21)17-10-8-16(9-11-17)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,18,19)