tert-butyl 4-(3-bromanyl-5-ethylsulfonyl-4-methoxy-phenyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-bromanyl-5-ethylsulfonyl-4-methoxy-phenyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-bromo-5-ethylsulfonyl-4-methoxy-phenyl)piperazine-1-carboxylate CAS Name: 4-(3-bromo-5-ethylsulfonyl-4-methoxyphenyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-bromo-5-ethylsulfonyl-4-methoxyphenyl)piperazine-1-carboxylate Traditional Name: 4-(3-bromo-5-esyl-4-methoxy-phenyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H27BrN2O5S MolecularWeight: 463.38638

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C(=CC(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)Br)OC

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=CC(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)Br)OC

InChI

InChI=1S/C18H27BrN2O5S/c1-6-27(23,24)15-12-13(11-14(19)16(15)25-5)20-7-9-21(10-8-20)17(22)26-18(2,3)4/h11-12H,6-10H2,1-5H3