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

Systemtic Name: 4-[(3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoic acid Openeye Name: 4-[(3-methylbenzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoic acid CAS Name: 4-[(3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoic acid IUPAC Name: 4-[(3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoic acid Traditional Name: 3-mesyl-4-[(3-methylbenzothiophen-2-yl)sulfonylamino]benzoic acid Formula: C17H15NO6S3 MolecularWeight: 425.4991

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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)O)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO6S3/c1-10-12-5-3-4-6-14(12)25-17(10)27(23,24)18-13-8-7-11(16(19)20)9-15(13)26(2,21)22/h3-9,18H,1-2H3,(H,19,20)