tert-butyl 4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoate

Systemtic Name: tert-butyl 4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoate Openeye Name: tert-butyl 4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoate CAS Name: 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoate Traditional Name: 4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-mesyl-benzoic acid tert-butyl ester Formula: C21H22ClNO6S3 MolecularWeight: 516.05048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=C(C=C(C=C3)C(=O)OC(C)(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=C(C=C(C=C3)C(=O)OC(C)(C)C)S(=O)(=O)C

InChI

InChI=1S/C21H22ClNO6S3/c1-12-15-11-14(22)7-9-17(15)30-20(12)32(27,28)23-16-8-6-13(10-18(16)31(5,25)26)19(24)29-21(2,3)4/h6-11,23H,1-5H3