[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C17H19BrN2O5S2 MolecularWeight: 475.37716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C17H19BrN2O5S2/c1-12(13-4-6-14(18)7-5-13)20-15(21)11-25-16(22)8-9-19-27(23,24)17-3-2-10-26-17/h2-7,10,12,19H,8-9,11H2,1H3,(H,20,21)