[4-(4-nitrophenyl)sulfanylphenyl]methyl 2-(phenylsulfonylamino)ethanoate

Systemtic Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 2-(phenylsulfonylamino)ethanoate Openeye Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 2-(benzenesulfonamido)acetate CAS Name: 2-(benzenesulfonamido)acetic acid [4-[(4-nitrophenyl)thio]phenyl]methyl ester IUPAC Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 2-(benzenesulfonamido)acetate Traditional Name: 2-(benzenesulfonamido)acetic acid [4-[(4-nitrophenyl)thio]benzyl] ester Formula: C21H18N2O6S2 MolecularWeight: 458.50742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6S2/c24-21(14-22-31(27,28)20-4-2-1-3-5-20)29-15-16-6-10-18(11-7-16)30-19-12-8-17(9-13-19)23(25)26/h1-13,22H,14-15H2