[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 3-methyl-2-(tosylamino)valeric acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C21H24BrNO5S MolecularWeight: 482.38796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)Br)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)Br)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H24BrNO5S/c1-4-15(3)20(23-29(26,27)18-11-5-14(2)6-12-18)21(25)28-13-19(24)16-7-9-17(22)10-8-16/h5-12,15,20,23H,4,13H2,1-3H3