3-[[6-[4-(cyclopentylamino)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]amino]benzoic acid

Systemtic Name: 3-[[6-[4-(cyclopentylamino)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]amino]benzoic acid Openeye Name: 3-[[6-[4-(cyclopentylamino)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]amino]benzoic acid CAS Name: 3-[[6-[4-(cyclopentylamino)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]amino]benzoic acid IUPAC Name: 3-[[6-[4-(cyclopentylamino)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]amino]benzoic acid Traditional Name: 3-[[6-[4-(cyclopentylamino)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]amino]benzoic acid Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CCC(C1)NC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C25H24N4O5S/c30-24(31)16-4-3-7-19(14-16)27-25-28-22-13-10-20(15-23(22)29-25)34-35(32,33)21-11-8-18(9-12-21)26-17-5-1-2-6-17/h3-4,7-15,17,26H,1-2,5-6H2,(H,30,31)(H2,27,28,29)