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

Systemtic Name: 2-[(3-oxidanylidenepiperazin-1-yl)sulfonylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(3-oxopiperazin-1-yl)sulfonyl-propanoic acid CAS Name: 2-[(3-oxo-1-piperazinyl)sulfonylmethyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(3-oxopiperazin-1-yl)sulfonylpropanoic acid Traditional Name: 2-benzyl-3-(3-ketopiperazino)sulfonyl-propionic acid Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H18N2O5S/c17-13-9-16(7-6-15-13)22(20,21)10-12(14(18)19)8-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)(H,18,19)