(phenylmethyl) 4-(4-chloranylsulfonylphenyl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-chloranylsulfonylphenyl)piperazine-1-carboxylate Openeye Name: benzyl 4-(4-chlorosulfonylphenyl)piperazine-1-carboxylate CAS Name: 4-(4-chlorosulfonylphenyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-chlorosulfonylphenyl)piperazine-1-carboxylate Traditional Name: 4-(4-chlorosulfonylphenyl)piperazine-1-carboxylic acid benzyl ester Formula: C18H19ClN2O4S MolecularWeight: 394.87246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)S(=O)(=O)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)S(=O)(=O)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H19ClN2O4S/c19-26(23,24)17-8-6-16(7-9-17)20-10-12-21(13-11-20)18(22)25-14-15-4-2-1-3-5-15/h1-9H,10-14H2