[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 7-(phenylsulfonylamino)heptanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 7-(phenylsulfonylamino)heptanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 7-(benzenesulfonamido)heptanoate CAS Name: 7-(benzenesulfonamido)heptanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 7-(benzenesulfonamido)heptanoate Traditional Name: 7-(benzenesulfonamido)enanthic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C21H24BrNO5S MolecularWeight: 482.38796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCCCCCC(=O)OCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCCCCCC(=O)OCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H24BrNO5S/c22-18-13-11-17(12-14-18)20(24)16-28-21(25)10-6-1-2-7-15-23-29(26,27)19-8-4-3-5-9-19/h3-5,8-9,11-14,23H,1-2,6-7,10,15-16H2