2-[(4-bromophenyl)sulfonyl-phenethyl-amino]ethanoate

Systemtic Name: 2-[(4-bromophenyl)sulfonyl-phenethyl-amino]ethanoate Openeye Name: 2-[(4-bromophenyl)sulfonyl-phenethyl-amino]acetate CAS Name: 2-[(4-bromophenyl)sulfonyl-phenethylamino]acetate IUPAC Name: 2-[(4-bromophenyl)sulfonyl-phenethylamino]acetate Traditional Name: 2-[brosyl(phenethyl)amino]acetate Formula: C16H15BrNO4S- MolecularWeight: 397.2636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H16BrNO4S/c17-14-6-8-15(9-7-14)23(21,22)18(12-16(19)20)11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20)/p-1