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

Systemtic Name: ethyl 3-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(3-chloro-4-fluoro-phenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(3-chloro-4-fluoro-phenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C22H22ClFN4O4S MolecularWeight: 492.950883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClFN4O4S/c1-2-32-22(29)20-21(26-19-7-4-3-6-18(19)25-20)27-10-5-11-28(13-12-27)33(30,31)15-8-9-17(24)16(23)14-15/h3-4,6-9,14H,2,5,10-13H2,1H3