(2-bromophenyl) 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoate

Systemtic Name: (2-bromophenyl) 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoate Openeye Name: (2-bromophenyl) 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoic acid (2-bromophenyl) ester IUPAC Name: (2-bromophenyl) 4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butyric acid (2-bromophenyl) ester Formula: C18H20BrNO5S MolecularWeight: 442.3241

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OC1=CC=CC=C1Br)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CN(CCCC(=O)OC1=CC=CC=C1Br)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H20BrNO5S/c1-20(26(22,23)15-11-9-14(24-2)10-12-15)13-5-8-18(21)25-17-7-4-3-6-16(17)19/h3-4,6-7,9-12H,5,8,13H2,1-2H3