ethyl 3-[4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C24H28N4O6S MolecularWeight: 500.56732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O6S/c1-4-34-24(29)22-23(26-19-9-6-5-8-18(19)25-22)27-12-7-13-28(15-14-27)35(30,31)21-16-17(32-2)10-11-20(21)33-3/h5-6,8-11,16H,4,7,12-15H2,1-3H3