2-[4-[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]carbonylcyclopentane-1-carboxylic acid

Systemtic Name: 2-[4-[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]carbonylcyclopentane-1-carboxylic acid Openeye Name: 2-[4-[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopentanecarboxylic acid CAS Name: 2-[[4-[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-oxomethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[4-[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid Traditional Name: 2-[4-[4-[(6-mesyl-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopentanecarboxylic acid Formula: C27H24N2O5S2 MolecularWeight: 520.61986

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)C5CCCC5C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)C5CCCC5C(=O)O

InChI

InChI=1S/C27H24N2O5S2/c1-36(33,34)20-13-14-23-24(15-20)35-27(29-23)28-19-11-9-17(10-12-19)16-5-7-18(8-6-16)25(30)21-3-2-4-22(21)26(31)32/h5-15,21-22H,2-4H2,1H3,(H,28,29)(H,31,32)