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

Systemtic Name: ethyl 4-(3-butoxy-4-chloranyl-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(3-butoxy-4-chloro-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(3-butoxy-4-chlorophenyl)sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-butoxy-4-chlorophenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(3-butoxy-4-chloro-phenyl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C17H25ClN2O5S MolecularWeight: 404.9088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O5S/c1-3-5-12-25-16-13-14(6-7-15(16)18)26(22,23)20-10-8-19(9-11-20)17(21)24-4-2/h6-7,13H,3-5,8-12H2,1-2H3