ethyl 4-(4-chloranyl-3-pentoxy-phenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-chloranyl-3-pentoxy-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(4-chloro-3-pentoxy-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(4-chloro-3-pentoxyphenyl)sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chloro-3-pentoxyphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(3-amoxy-4-chloro-phenyl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C18H27ClN2O5S MolecularWeight: 418.93538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2O5S/c1-3-5-6-13-26-17-14-15(7-8-16(17)19)27(23,24)21-11-9-20(10-12-21)18(22)25-4-2/h7-8,14H,3-6,9-13H2,1-2H3