(4-chloranyl-2-methyl-phenyl) 4-[[1,1-bis(oxidanylidene)thiolan-3-yl]sulfamoyl]benzoate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 4-[[1,1-bis(oxidanylidene)thiolan-3-yl]sulfamoyl]benzoate Openeye Name: (4-chloro-2-methyl-phenyl) 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoate CAS Name: 4-[(1,1-dioxo-3-thiolanyl)sulfamoyl]benzoic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoate Traditional Name: 4-[(1,1-diketothiolan-3-yl)sulfamoyl]benzoic acid (4-chloro-2-methyl-phenyl) ester Formula: C18H18ClNO6S2 MolecularWeight: 443.92162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3CCS(=O)(=O)C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3CCS(=O)(=O)C3

InChI

InChI=1S/C18H18ClNO6S2/c1-12-10-14(19)4-7-17(12)26-18(21)13-2-5-16(6-3-13)28(24,25)20-15-8-9-27(22,23)11-15/h2-7,10,15,20H,8-9,11H2,1H3