ethyl 4-(4-bromanyl-3-ethoxy-phenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-bromanyl-3-ethoxy-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(4-bromo-3-ethoxy-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(4-bromo-3-ethoxyphenyl)sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromo-3-ethoxyphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(4-bromo-3-ethoxy-phenyl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C15H21BrN2O5S MolecularWeight: 421.30664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)OCC)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)OCC)Br

InChI

InChI=1S/C15H21BrN2O5S/c1-3-22-14-11-12(5-6-13(14)16)24(20,21)18-9-7-17(8-10-18)15(19)23-4-2/h5-6,11H,3-4,7-10H2,1-2H3