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

Systemtic Name: tert-butyl 4-(4-bromanyl-2-methyl-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-bromo-2-methyl-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(4-bromo-2-methylphenyl)sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-bromo-2-methylphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(4-bromo-2-methyl-phenyl)sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C16H23BrN2O4S MolecularWeight: 419.33382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H23BrN2O4S/c1-12-11-13(17)5-6-14(12)24(21,22)19-9-7-18(8-10-19)15(20)23-16(2,3)4/h5-6,11H,7-10H2,1-4H3