[4-(4-bromophenyl)-4-oxidanylidene-butyl] 2-[(4-methylphenyl)sulfonylamino]ethanoate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 2-[(4-methylphenyl)sulfonylamino]ethanoate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 2-(p-tolylsulfonylamino)acetate CAS Name: 2-[(4-methylphenyl)sulfonylamino]acetic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 2-[(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-(tosylamino)acetic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C19H20BrNO5S MolecularWeight: 454.3348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCCCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCCCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H20BrNO5S/c1-14-4-10-17(11-5-14)27(24,25)21-13-19(23)26-12-2-3-18(22)15-6-8-16(20)9-7-15/h4-11,21H,2-3,12-13H2,1H3