2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]ethanoate

Systemtic Name: 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]ethanoate Openeye Name: 2-[(4-bromophenyl)sulfonyl-(p-tolylmethyl)amino]acetate CAS Name: 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate IUPAC Name: 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate Traditional Name: 2-[brosyl-(4-methylbenzyl)amino]acetate Formula: C16H15BrNO4S- MolecularWeight: 397.2636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO4S/c1-12-2-4-13(5-3-12)10-18(11-16(19)20)23(21,22)15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3,(H,19,20)/p-1