ethyl 4-(4-bromanyl-5-methyl-2-propan-2-yl-phenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-bromanyl-5-methyl-2-propan-2-yl-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(4-bromo-2-isopropyl-5-methyl-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(4-bromo-2-isopropyl-5-methyl-phenyl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C17H25BrN2O4S MolecularWeight: 433.3604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C)Br)C(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C)Br)C(C)C

InChI

InChI=1S/C17H25BrN2O4S/c1-5-24-17(21)19-6-8-20(9-7-19)25(22,23)16-10-13(4)15(18)11-14(16)12(2)3/h10-12H,5-9H2,1-4H3