N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(5-bromanyl-2-ethoxy-phenyl)sulfonyl-ethyl-amino]ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(5-bromanyl-2-ethoxy-phenyl)sulfonyl-ethyl-amino]ethanamide Openeye Name: 2-[(5-bromo-2-ethoxy-phenyl)sulfonyl-ethyl-amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide CAS Name: 2-[(5-bromo-2-ethoxyphenyl)sulfonyl-ethylamino]-N-[(3S)-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: 2-[(5-bromo-2-ethoxyphenyl)sulfonyl-ethylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide Traditional Name: 2-[(5-bromo-2-ethoxy-phenyl)sulfonyl-ethyl-amino]-N-[(3S)-1,1-diketothiolan-3-yl]acetamide Formula: C16H23BrN2O6S2 MolecularWeight: 483.39762

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)C2=C(C=CC(=C2)Br)OCC

Isomeric SMILES

CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)C2=C(C=CC(=C2)Br)OCC

InChI

InChI=1S/C16H23BrN2O6S2/c1-3-19(10-16(20)18-13-7-8-26(21,22)11-13)27(23,24)15-9-12(17)5-6-14(15)25-4-2/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H,18,20)/t13-/m0/s1