[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3-bromophenyl)sulfonylamino]ethanoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3-bromophenyl)sulfonylamino]ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 2-[(3-bromophenyl)sulfonylamino]acetate CAS Name: 2-[(3-bromophenyl)sulfonylamino]acetic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-[(3-bromophenyl)sulfonylamino]acetate Traditional Name: 2-[(3-bromophenyl)sulfonylamino]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H20BrN3O5S MolecularWeight: 494.3589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)CNS(=O)(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)CNS(=O)(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C20H20BrN3O5S/c1-15(20(26)24(12-6-11-22)17-8-3-2-4-9-17)29-19(25)14-23-30(27,28)18-10-5-7-16(21)13-18/h2-5,7-10,13,15,23H,6,12,14H2,1H3