[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino] 3-methylsulfonylbenzoate

Systemtic Name: [(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino] 3-methylsulfonylbenzoate Openeye Name: [(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino] ester IUPAC Name: [(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino] ester Formula: C17H14ClNO6S3 MolecularWeight: 459.94416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NOC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NOC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C17H14ClNO6S3/c1-10-14-9-12(18)6-7-15(14)26-17(10)28(23,24)19-25-16(20)11-4-3-5-13(8-11)27(2,21)22/h3-9,19H,1-2H3