ethyl 2-[2-[4-(5-bromanylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[4-(5-bromanylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[4-[(5-bromo-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]acetyl]amino]acetate CAS Name: 2-[[2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1,4-diazepan-1-yl]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetyl]amino]acetate Traditional Name: 2-[[2-[4-[(5-bromo-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]acetyl]amino]acetic acid ethyl ester Formula: C15H22BrN3O5S2 MolecularWeight: 468.38628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CN1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CCOC(=O)CNC(=O)CN1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C15H22BrN3O5S2/c1-2-24-14(21)10-17-13(20)11-18-6-3-7-19(9-8-18)26(22,23)15-5-4-12(16)25-15/h4-5H,2-3,6-11H2,1H3,(H,17,20)