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

Systemtic Name: methyl 4-[(3,5-dimethyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoate Openeye Name: methyl 4-[(3,5-dimethylbenzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoate CAS Name: 4-[(3,5-dimethyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-[(3,5-dimethyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoate Traditional Name: 4-[(3,5-dimethylbenzothiophen-2-yl)sulfonylamino]-3-mesyl-benzoic acid methyl ester Formula: C19H19NO6S3 MolecularWeight: 453.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=C2C)S(=O)(=O)NC3=C(C=C(C=C3)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=C2C)S(=O)(=O)NC3=C(C=C(C=C3)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C19H19NO6S3/c1-11-5-8-16-14(9-11)12(2)19(27-16)29(24,25)20-15-7-6-13(18(21)26-3)10-17(15)28(4,22)23/h5-10,20H,1-4H3