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

Systemtic Name: ethyl 3-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-[4-(1,1-dimethylpropyl)phenyl]sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(4-tert-amylphenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O4S/c1-5-27(3,4)20-12-14-21(15-13-20)36(33,34)31-17-9-16-30(18-19-31)25-24(26(32)35-6-2)28-22-10-7-8-11-23(22)29-25/h7-8,10-15H,5-6,9,16-19H2,1-4H3