ethyl 4-(2-butoxy-4-methyl-5-propan-2-yl-phenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-butoxy-4-methyl-5-propan-2-yl-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(2-butoxy-5-isopropyl-4-methyl-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(2-butoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-butoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(2-butoxy-5-isopropyl-4-methyl-phenyl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C21H34N2O5S MolecularWeight: 426.57006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)C)C(C)C)S(=O)(=O)N2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)C)C(C)C)S(=O)(=O)N2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C21H34N2O5S/c1-6-8-13-28-19-14-17(5)18(16(3)4)15-20(19)29(25,26)23-11-9-22(10-12-23)21(24)27-7-2/h14-16H,6-13H2,1-5H3