ethyl (3S)-1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-[(4-bromophenyl)sulfonylamino]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-(brosylamino)propanoyl]nipecotic acid ethyl ester Formula: C17H23BrN2O5S MolecularWeight: 447.34392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H23BrN2O5S/c1-2-25-17(22)13-4-3-11-20(12-13)16(21)9-10-19-26(23,24)15-7-5-14(18)6-8-15/h5-8,13,19H,2-4,9-12H2,1H3/t13-/m0/s1