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

Systemtic Name: 2-[4-[4-[(6-nitro-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]carbonylcyclopentane-1-carboxylic acid Openeye Name: 2-[4-[4-[(6-nitro-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopentanecarboxylic acid CAS Name: 2-[[4-[4-[(6-nitro-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-oxomethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[4-[4-[(6-nitro-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid Traditional Name: 2-[4-[4-[(6-nitro-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopentanecarboxylic acid Formula: C26H21N3O5S MolecularWeight: 487.52704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)C(=O)O)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC(C(C1)C(=O)O)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H21N3O5S/c30-24(20-2-1-3-21(20)25(31)32)17-6-4-15(5-7-17)16-8-10-18(11-9-16)27-26-28-22-13-12-19(29(33)34)14-23(22)35-26/h4-14,20-21H,1-3H2,(H,27,28)(H,31,32)