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

Systemtic Name: ethyl 4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H18ClNO6S3 MolecularWeight: 487.99732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NS(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NS(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C)S(=O)(=O)C

InChI

InChI=1S/C19H18ClNO6S3/c1-4-27-18(22)12-5-7-15(17(9-12)29(3,23)24)21-30(25,26)19-11(2)14-10-13(20)6-8-16(14)28-19/h5-10,21H,4H2,1-3H3