tert-butyl 3-[(5-iodanylthiophen-2-yl)carbonylamino]-2-(phenylsulfonylamino)propanoate

Systemtic Name: tert-butyl 3-[(5-iodanylthiophen-2-yl)carbonylamino]-2-(phenylsulfonylamino)propanoate Openeye Name: tert-butyl 2-(benzenesulfonamido)-3-[(5-iodothiophene-2-carbonyl)amino]propanoate CAS Name: 2-(benzenesulfonamido)-3-[[(5-iodo-2-thiophenyl)-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(benzenesulfonamido)-3-[(5-iodothiophene-2-carbonyl)amino]propanoate Traditional Name: 2-(benzenesulfonamido)-3-[(5-iodothiophene-2-carbonyl)amino]propionic acid tert-butyl ester Formula: C18H21IN2O5S2 MolecularWeight: 536.40421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CNC(=O)C1=CC=C(S1)I)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(CNC(=O)C1=CC=C(S1)I)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H21IN2O5S2/c1-18(2,3)26-17(23)13(11-20-16(22)14-9-10-15(19)27-14)21-28(24,25)12-7-5-4-6-8-12/h4-10,13,21H,11H2,1-3H3,(H,20,22)