(4-methylsulfanylphenyl)methyl 3-(phenylsulfonylamino)benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-(phenylsulfonylamino)benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-(benzenesulfonamido)benzoate CAS Name: 3-(benzenesulfonamido)benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-(benzenesulfonamido)benzoate Traditional Name: 3-(benzenesulfonamido)benzoic acid [4-(methylthio)benzyl] ester Formula: C21H19NO4S2 MolecularWeight: 413.50986

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO4S2/c1-27-19-12-10-16(11-13-19)15-26-21(23)17-6-5-7-18(14-17)22-28(24,25)20-8-3-2-4-9-20/h2-14,22H,15H2,1H3