ethyl 3-(4-butylsulfonyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-(4-butylsulfonyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylate Openeye Name: ethyl 3-(4-butylsulfonyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylate CAS Name: 3-(4-butylsulfonyl-1,4-diazepan-1-yl)-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-butylsulfonyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylate Traditional Name: 3-(4-butylsulfonyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylic acid ethyl ester Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O4S/c1-3-5-15-29(26,27)24-12-8-11-23(13-14-24)19-18(20(25)28-4-2)21-16-9-6-7-10-17(16)22-19/h6-7,9-10H,3-5,8,11-15H2,1-2H3