2-chloranyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-benzoate

Systemtic Name: 2-chloranyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-benzoate Openeye Name: 2-chloro-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-benzoate CAS Name: 2-chloro-5-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]benzoate IUPAC Name: 2-chloro-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 2-chloro-5-[4-(4-methoxyphenyl)piperazino]sulfonyl-benzoate Formula: C18H18ClN2O5S- MolecularWeight: 409.86392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C18H19ClN2O5S/c1-26-14-4-2-13(3-5-14)20-8-10-21(11-9-20)27(24,25)15-6-7-17(19)16(12-15)18(22)23/h2-7,12H,8-11H2,1H3,(H,22,23)/p-1