ethyl 1-[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-(brosylamino)-3-methyl-butanoyl]isonipecotic acid ethyl ester Formula: C19H27BrN2O5S MolecularWeight: 475.39708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C(C)C)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H27BrN2O5S/c1-4-27-19(24)14-9-11-22(12-10-14)18(23)17(13(2)3)21-28(25,26)16-7-5-15(20)6-8-16/h5-8,13-14,17,21H,4,9-12H2,1-3H3/t17-/m0/s1