tert-butyl 4-(4-bromanyl-2-ethyl-phenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-bromanyl-2-ethyl-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-bromo-2-ethyl-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(4-bromo-2-ethylphenyl)sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-bromo-2-ethylphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(4-bromo-2-ethyl-phenyl)sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C17H25BrN2O4S MolecularWeight: 433.3604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H25BrN2O4S/c1-5-13-12-14(18)6-7-15(13)25(22,23)20-10-8-19(9-11-20)16(21)24-17(2,3)4/h6-7,12H,5,8-11H2,1-4H3