ethyl 3-[(4-bromophenyl)sulfonyl-[(2,5-dimethoxyphenyl)methyl]amino]propanoate

Systemtic Name: ethyl 3-[(4-bromophenyl)sulfonyl-[(2,5-dimethoxyphenyl)methyl]amino]propanoate Openeye Name: ethyl 3-[(4-bromophenyl)sulfonyl-[(2,5-dimethoxyphenyl)methyl]amino]propanoate CAS Name: 3-[(4-bromophenyl)sulfonyl-[(2,5-dimethoxyphenyl)methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromophenyl)sulfonyl-[(2,5-dimethoxyphenyl)methyl]amino]propanoate Traditional Name: 3-[brosyl-(2,5-dimethoxybenzyl)amino]propionic acid ethyl ester Formula: C20H24BrNO6S MolecularWeight: 486.37666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=C(C=CC(=C1)OC)OC)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)CCN(CC1=C(C=CC(=C1)OC)OC)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H24BrNO6S/c1-4-28-20(23)11-12-22(29(24,25)18-8-5-16(21)6-9-18)14-15-13-17(26-2)7-10-19(15)27-3/h5-10,13H,4,11-12,14H2,1-3H3