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

Systemtic Name: methyl 4-[(3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoate Openeye Name: methyl 4-[(3-methylbenzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoate CAS Name: 4-[(3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-[(3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoate Traditional Name: 3-mesyl-4-[(3-methylbenzothiophen-2-yl)sulfonylamino]benzoic acid methyl ester Formula: C18H17NO6S3 MolecularWeight: 439.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)S(=O)(=O)NC3=C(C=C(C=C3)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)S(=O)(=O)NC3=C(C=C(C=C3)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C18H17NO6S3/c1-11-13-6-4-5-7-15(13)26-18(11)28(23,24)19-14-9-8-12(17(20)25-2)10-16(14)27(3,21)22/h4-10,19H,1-3H3