ethyl 3-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C23H23F3N4O4S MolecularWeight: 508.51333

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C23H23F3N4O4S/c1-2-34-22(31)20-21(28-18-10-5-4-9-17(18)27-20)29-12-7-13-30(15-14-29)35(32,33)19-11-6-3-8-16(19)23(24,25)26/h3-6,8-11H,2,7,12-15H2,1H3