disodium 2-[4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-phenyl]-1,3-oxazole-4-carboxylate

Systemtic Name: disodium 2-[4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-phenyl]-1,3-oxazole-4-carboxylate Openeye Name: disodium 2-[4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-phenyl]oxazole-4-carboxylate CAS Name: disodium 2-[4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylphenyl]-4-oxazolecarboxylate IUPAC Name: disodium 2-[4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylphenyl]-1,3-oxazole-4-carboxylate Traditional Name: disodium 2-[4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-mesyl-phenyl]oxazole-4-carboxylate Formula: C40H28Cl2N4Na2O14S6 MolecularWeight: 1097.94426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=C(C=C(C=C3)C4=NC(=CO4)C(=O)[O-])S(=O)(=O)C.CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=C(C=C(C=C3)C4=NC(=CO4)C(=O)[O-])S(=O)(=O)C.[Na+].[Na+]

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=C(C=C(C=C3)C4=NC(=CO4)C(=O)[O-])S(=O)(=O)C.CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=C(C=C(C=C3)C4=NC(=CO4)C(=O)[O-])S(=O)(=O)C.[Na+].[Na+]

InChI

InChI=1S/2C20H15ClN2O7S3.2Na/c2*1-10-13-8-12(21)4-6-16(13)31-20(10)33(28,29)23-14-5-3-11(7-17(14)32(2,26)27)18-22-15(9-30-18)19(24)25;;/h2*3-9,23H,1-2H3,(H,24,25);;/q;;2*+1/p-2