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

Systemtic Name: ethyl 3-[4-(4-chloranyl-3-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(4-chloro-3-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-(4-chloro-3-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-chloro-3-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(4-chloro-3-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C22H22ClN5O6S MolecularWeight: 519.95798

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H22ClN5O6S/c1-2-34-22(29)20-21(25-18-7-4-3-6-17(18)24-20)26-10-5-11-27(13-12-26)35(32,33)15-8-9-16(23)19(14-15)28(30)31/h3-4,6-9,14H,2,5,10-13H2,1H3