methyl 3-[[3-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfonylphenyl]sulfonylamino]benzoate

Systemtic Name: methyl 3-[[3-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfonylphenyl]sulfonylamino]benzoate Openeye Name: methyl 3-[[3-(1,1-dioxothiolan-3-yl)sulfonylphenyl]sulfonylamino]benzoate CAS Name: 3-[[3-[(1,1-dioxo-3-thiolanyl)sulfonyl]phenyl]sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(1,1-dioxothiolan-3-yl)sulfonylphenyl]sulfonylamino]benzoate Traditional Name: 3-[[3-(1,1-diketothiolan-3-yl)sulfonylphenyl]sulfonylamino]benzoic acid methyl ester Formula: C18H19NO8S3 MolecularWeight: 473.54036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C3CCS(=O)(=O)C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C3CCS(=O)(=O)C3

InChI

InChI=1S/C18H19NO8S3/c1-27-18(20)13-4-2-5-14(10-13)19-30(25,26)16-7-3-6-15(11-16)29(23,24)17-8-9-28(21,22)12-17/h2-7,10-11,17,19H,8-9,12H2,1H3