ethyl 4-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-bromo-N-mesyl-3-methyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H24BrN3O5S MolecularWeight: 462.35856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrN3O5S/c1-4-26-17(23)20-9-7-19(8-10-20)16(22)12-21(27(3,24)25)14-5-6-15(18)13(2)11-14/h5-6,11H,4,7-10,12H2,1-3H3