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

Systemtic Name: ethyl 3-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-(4-benzylsulfonyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylate CAS Name: 3-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-benzylsulfonyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylate Traditional Name: 3-(4-benzylsulfonyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylic acid ethyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O4S/c1-2-31-23(28)21-22(25-20-12-7-6-11-19(20)24-21)26-13-8-14-27(16-15-26)32(29,30)17-18-9-4-3-5-10-18/h3-7,9-12H,2,8,13-17H2,1H3