ethyl 1-[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-3-carboxylate CAS Name: 1-[3-[(4-bromophenyl)sulfonylamino]-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[3-(brosylamino)quinoxalin-2-yl]nipecotic acid ethyl ester Formula: C22H23BrN4O4S MolecularWeight: 519.41142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H23BrN4O4S/c1-2-31-22(28)15-6-5-13-27(14-15)21-20(24-18-7-3-4-8-19(18)25-21)26-32(29,30)17-11-9-16(23)10-12-17/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,24,26)