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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(5-bromanyl-2-methoxy-phenyl)sulfonyl-ethyl-amino]ethanamide Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)sulfonyl-ethyl-amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide CAS Name: 2-[(5-bromo-2-methoxyphenyl)sulfonyl-ethylamino]-N-[(3S)-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)sulfonyl-ethylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide Traditional Name: 2-[(5-bromo-2-methoxy-phenyl)sulfonyl-ethyl-amino]-N-[(3S)-1,1-diketothiolan-3-yl]acetamide Formula: C15H21BrN2O6S2 MolecularWeight: 469.37104

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrN2O6S2/c1-3-18(9-15(19)17-12-6-7-25(20,21)10-12)26(22,23)14-8-11(16)4-5-13(14)24-2/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,17,19)/t12-/m0/s1