methyl 1-[3-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-2-quinoxalinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]quinoxalin-2-yl]isonipecotic acid methyl ester Formula: C23H25BrN4O5S MolecularWeight: 549.4374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCC(CC4)C(=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCC(CC4)C(=O)OC

InChI

InChI=1S/C23H25BrN4O5S/c1-3-33-19-9-8-16(24)14-20(19)34(30,31)27-21-22(26-18-7-5-4-6-17(18)25-21)28-12-10-15(11-13-28)23(29)32-2/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,27)