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

Systemtic Name: 4-[(3,5-dimethyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoic acid Openeye Name: 4-[(3,5-dimethylbenzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoic acid CAS Name: 4-[(3,5-dimethyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoic acid IUPAC Name: 4-[(3,5-dimethyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoic acid Traditional Name: 4-[(3,5-dimethylbenzothiophen-2-yl)sulfonylamino]-3-mesyl-benzoic acid Formula: C18H17NO6S3 MolecularWeight: 439.52568

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

Isomeric SMILES

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

InChI

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