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

Systemtic Name: sodium 4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-3-methylsulfonyl-benzoate Openeye Name: sodium 4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-2-methyl-3-methylsulfonyl-benzoate CAS Name: sodium 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-3-methylsulfonylbenzoate IUPAC Name: sodium 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-3-methylsulfonylbenzoate Traditional Name: sodium 4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-mesyl-2-methyl-benzoate Formula: C18H15ClNNaO6S3 MolecularWeight: 495.95257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1S(=O)(=O)C)NS(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1S(=O)(=O)C)NS(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H16ClNO6S3.Na/c1-9-12(17(21)22)5-6-14(16(9)28(3,23)24)20-29(25,26)18-10(2)13-8-11(19)4-7-15(13)27-18;/h4-8,20H,1-3H3,(H,21,22);/q;+1/p-1