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

Systemtic Name: ethyl 3-[4-(4-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(4-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-(4-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(4-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C24H28N4O4S MolecularWeight: 468.56852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4N=C3C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4N=C3C(=O)OCC

InChI

InChI=1S/C24H28N4O4S/c1-3-18-10-12-19(13-11-18)33(30,31)28-15-7-14-27(16-17-28)23-22(24(29)32-4-2)25-20-8-5-6-9-21(20)26-23/h5-6,8-13H,3-4,7,14-17H2,1-2H3