ethyl 3-(4-butylsulfonyl-1,4-diazepan-1-yl)-6,7-bis(chloranyl)quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-(4-butylsulfonyl-1,4-diazepan-1-yl)-6,7-bis(chloranyl)quinoxaline-2-carboxylate Openeye Name: ethyl 3-(4-butylsulfonyl-1,4-diazepan-1-yl)-6,7-dichloro-quinoxaline-2-carboxylate CAS Name: 3-(4-butylsulfonyl-1,4-diazepan-1-yl)-6,7-dichloro-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-butylsulfonyl-1,4-diazepan-1-yl)-6,7-dichloroquinoxaline-2-carboxylate Traditional Name: 3-(4-butylsulfonyl-1,4-diazepan-1-yl)-6,7-dichloro-quinoxaline-2-carboxylic acid ethyl ester Formula: C20H26Cl2N4O4S MolecularWeight: 489.41584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCCN(CC1)C2=NC3=CC(=C(C=C3N=C2C(=O)OCC)Cl)Cl

Isomeric SMILES

CCCCS(=O)(=O)N1CCCN(CC1)C2=NC3=CC(=C(C=C3N=C2C(=O)OCC)Cl)Cl

InChI

InChI=1S/C20H26Cl2N4O4S/c1-3-5-11-31(28,29)26-8-6-7-25(9-10-26)19-18(20(27)30-4-2)23-16-12-14(21)15(22)13-17(16)24-19/h12-13H,3-11H2,1-2H3