ethyl 4-(4-bromanyl-3-propoxy-phenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-bromanyl-3-propoxy-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(4-bromo-3-propoxy-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(4-bromo-3-propoxyphenyl)sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromo-3-propoxyphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(4-bromo-3-propoxy-phenyl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C16H23BrN2O5S MolecularWeight: 435.33322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)OCC)Br

Isomeric SMILES

CCCOC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)OCC)Br

InChI

InChI=1S/C16H23BrN2O5S/c1-3-11-24-15-12-13(5-6-14(15)17)25(21,22)19-9-7-18(8-10-19)16(20)23-4-2/h5-6,12H,3-4,7-11H2,1-2H3