(2S)-2-methyl-3-(4-phenylpiperazin-1-yl)sulfonyl-propanoic acid

Systemtic Name: (2S)-2-methyl-3-(4-phenylpiperazin-1-yl)sulfonyl-propanoic acid Openeye Name: (2S)-2-methyl-3-(4-phenylpiperazin-1-yl)sulfonyl-propanoic acid CAS Name: (2S)-2-methyl-3-[(4-phenyl-1-piperazinyl)sulfonyl]propanoic acid IUPAC Name: (2S)-2-methyl-3-(4-phenylpiperazin-1-yl)sulfonylpropanoic acid Traditional Name: (2S)-2-methyl-3-(4-phenylpiperazino)sulfonyl-propionic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H20N2O4S/c1-12(14(17)18)11-21(19,20)16-9-7-15(8-10-16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,17,18)/t12-/m1/s1