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

Systemtic Name: 4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-3-methylsulfonyl-benzoic acid Openeye Name: 4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-2-methyl-3-methylsulfonyl-benzoic acid CAS Name: 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-3-methylsulfonylbenzoic acid IUPAC Name: 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-3-methylsulfonylbenzoic acid Traditional Name: 4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-mesyl-2-methyl-benzoic acid Formula: C18H16ClNO6S3 MolecularWeight: 473.97074

Click to see the large picture

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

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

InChI

InChI=1S/C18H16ClNO6S3/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)