(2S)-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-propanoate

Systemtic Name: (2S)-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-propanoate Openeye Name: (2S)-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-propanoate CAS Name: (2S)-3-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-2-methylpropanoate IUPAC Name: (2S)-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylpropanoate Traditional Name: (2S)-3-[4-(3-chlorophenyl)piperazino]sulfonyl-2-methyl-propionate Formula: C14H18ClN2O4S- MolecularWeight: 345.82172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O4S/c1-11(14(18)19)10-22(20,21)17-7-5-16(6-8-17)13-4-2-3-12(15)9-13/h2-4,9,11H,5-8,10H2,1H3,(H,18,19)/p-1/t11-/m1/s1