2-[(4-methylpiperazin-1-yl)sulfonylmethyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[(4-methylpiperazin-1-yl)sulfonylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(4-methylpiperazin-1-yl)sulfonyl-propanoic acid CAS Name: 2-[(4-methyl-1-piperazinyl)sulfonylmethyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(4-methylpiperazin-1-yl)sulfonylpropanoic acid Traditional Name: 2-benzyl-3-(4-methylpiperazino)sulfonyl-propionic acid Formula: C15H22N2O4S MolecularWeight: 326.41118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H22N2O4S/c1-16-7-9-17(10-8-16)22(20,21)12-14(15(18)19)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,19)