ethyl 4-(4-pentoxy-3-propan-2-yl-phenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-pentoxy-3-propan-2-yl-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(3-isopropyl-4-pentoxy-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(4-pentoxy-3-propan-2-ylphenyl)sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-pentoxy-3-propan-2-ylphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(4-amoxy-3-isopropyl-phenyl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C21H34N2O5S MolecularWeight: 426.57006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O5S/c1-5-7-8-15-28-20-10-9-18(16-19(20)17(3)4)29(25,26)23-13-11-22(12-14-23)21(24)27-6-2/h9-10,16-17H,5-8,11-15H2,1-4H3