methyl 5-[(phenylmethyl)sulfonylamino]-2-phenylsulfanyl-benzoate

Systemtic Name: methyl 5-[(phenylmethyl)sulfonylamino]-2-phenylsulfanyl-benzoate Openeye Name: methyl 5-(benzylsulfonylamino)-2-phenylsulfanyl-benzoate CAS Name: 5-[(phenylmethyl)sulfonylamino]-2-(phenylthio)benzoic acid methyl ester IUPAC Name: methyl 5-(benzylsulfonylamino)-2-phenylsulfanylbenzoate Traditional Name: 5-(benzylsulfonylamino)-2-(phenylthio)benzoic acid methyl ester Formula: C21H19NO4S2 MolecularWeight: 413.50986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NS(=O)(=O)CC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NS(=O)(=O)CC2=CC=CC=C2)SC3=CC=CC=C3

InChI

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