ethyl 4-(4-butoxy-3-methyl-phenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-butoxy-3-methyl-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(4-butoxy-3-methyl-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(4-butoxy-3-methylphenyl)sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butoxy-3-methylphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(4-butoxy-3-methyl-phenyl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C18H28N2O5S MolecularWeight: 384.49032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O5S/c1-4-6-13-25-17-8-7-16(14-15(17)3)26(22,23)20-11-9-19(10-12-20)18(21)24-5-2/h7-8,14H,4-6,9-13H2,1-3H3