3-(4-bromophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate

Systemtic Name: 3-(4-bromophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Openeye Name: 3-(4-bromophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate CAS Name: 3-(4-bromophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate IUPAC Name: 3-(4-bromophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-(4-bromophenyl)-2-(mesitylsulfonylamino)propionate Formula: C18H19BrNO4S- MolecularWeight: 425.31676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CC2=CC=C(C=C2)Br)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CC2=CC=C(C=C2)Br)C(=O)[O-])C

InChI

InChI=1S/C18H20BrNO4S/c1-11-8-12(2)17(13(3)9-11)25(23,24)20-16(18(21)22)10-14-4-6-15(19)7-5-14/h4-9,16,20H,10H2,1-3H3,(H,21,22)/p-1