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

Systemtic Name: ethyl 3-[4-(2-cyanophenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(2-cyanophenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-(2-cyanophenyl)sulfonyl-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-cyanophenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(2-cyanophenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C23H23N5O4S MolecularWeight: 465.52482

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O4S/c1-2-32-23(29)21-22(26-19-10-5-4-9-18(19)25-21)27-12-7-13-28(15-14-27)33(30,31)20-11-6-3-8-17(20)16-24/h3-6,8-11H,2,7,12-15H2,1H3