ethyl 4-(5-chloranyl-4-methyl-2-pentoxy-phenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(5-chloranyl-4-methyl-2-pentoxy-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(5-chloro-4-methyl-2-pentoxy-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(5-chloro-4-methyl-2-pentoxyphenyl)sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-chloro-4-methyl-2-pentoxyphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(2-amoxy-5-chloro-4-methyl-phenyl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C19H29ClN2O5S MolecularWeight: 432.96196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCCCCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C19H29ClN2O5S/c1-4-6-7-12-27-17-13-15(3)16(20)14-18(17)28(24,25)22-10-8-21(9-11-22)19(23)26-5-2/h13-14H,4-12H2,1-3H3