(1-azanyl-1-oxidanylidene-propan-2-yl) 3-[(4-bromophenyl)sulfonyl-(3,5-dimethylphenyl)amino]propanoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 3-[(4-bromophenyl)sulfonyl-(3,5-dimethylphenyl)amino]propanoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 3-(N-(4-bromophenyl)sulfonyl-3,5-dimethyl-anilino)propanoate CAS Name: 3-(N-(4-bromophenyl)sulfonyl-3,5-dimethylanilino)propanoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 3-(N-(4-bromophenyl)sulfonyl-3,5-dimethylanilino)propanoate Traditional Name: 3-(N-brosyl-3,5-dimethyl-anilino)propionic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC(=O)OC(C)C(=O)N)S(=O)(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC(=O)OC(C)C(=O)N)S(=O)(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C20H23BrN2O5S/c1-13-10-14(2)12-17(11-13)23(9-8-19(24)28-15(3)20(22)25)29(26,27)18-6-4-16(21)5-7-18/h4-7,10-12,15H,8-9H2,1-3H3,(H2,22,25)