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

Systemtic Name: ethyl 3-[4-(4-butylphenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(4-butylphenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-(4-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-butylphenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(4-butylphenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C26H32N4O4S MolecularWeight: 496.62168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4N=C3C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4N=C3C(=O)OCC

InChI

InChI=1S/C26H32N4O4S/c1-3-5-9-20-12-14-21(15-13-20)35(32,33)30-17-8-16-29(18-19-30)25-24(26(31)34-4-2)27-22-10-6-7-11-23(22)28-25/h6-7,10-15H,3-5,8-9,16-19H2,1-2H3