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

Systemtic Name: ethyl 3-[4-(3-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(3-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-(3-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(3-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C22H23N5O6S MolecularWeight: 485.51292

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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(=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O6S/c1-2-33-22(28)20-21(24-19-10-4-3-9-18(19)23-20)25-11-6-12-26(14-13-25)34(31,32)17-8-5-7-16(15-17)27(29)30/h3-5,7-10,15H,2,6,11-14H2,1H3