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

Systemtic Name: sodium methyl 4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoate Openeye Name: sodium methyl 4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoate CAS Name: sodium 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: sodium methyl 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoate Traditional Name: sodium 4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-mesyl-benzoic acid methyl ester Formula: C18H16ClNNaO6S3+ MolecularWeight: 496.96051

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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)C(=O)OC)S(=O)(=O)C.[Na+]

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=C(C=C(C=C3)C(=O)OC)S(=O)(=O)C.[Na+]

InChI

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