ethanoic acid; 1-(phenylmethyl)sulfonylpiperazine

Systemtic Name: ethanoic acid; 1-(phenylmethyl)sulfonylpiperazine Openeye Name: acetic acid; 1-benzylsulfonylpiperazine CAS Name: acetic acid; 1-(phenylmethyl)sulfonylpiperazine IUPAC Name: acetic acid; 1-benzylsulfonylpiperazine Traditional Name: acetic acid; 1-benzylsulfonylpiperazine Formula: C13H20N2O4S MolecularWeight: 300.3739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CN(CCN1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)O.C1CN(CCN1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C11H16N2O2S.C2H4O2/c14-16(15,13-8-6-12-7-9-13)10-11-4-2-1-3-5-11;1-2(3)4/h1-5,12H,6-10H2;1H3,(H,3,4)