6-chloranyl-2-ethyl-1-[4-[2-[(4-methylphenyl)sulfonylcarbamoylamino]ethyl]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 6-chloranyl-2-ethyl-1-[4-[2-[(4-methylphenyl)sulfonylcarbamoylamino]ethyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 6-chloro-2-ethyl-1-[4-[2-(p-tolylsulfonylcarbamoylamino)ethyl]phenyl]benzimidazole-5-carboxylic acid CAS Name: 6-chloro-2-ethyl-1-[4-[2-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]ethyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 6-chloro-2-ethyl-1-[4-[2-[(4-methylphenyl)sulfonylcarbamoylamino]ethyl]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 6-chloro-2-ethyl-1-[4-[2-(tosylcarbamoylamino)ethyl]phenyl]benzimidazole-5-carboxylic acid Formula: C26H25ClN4O5S MolecularWeight: 541.0185

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C3=CC=C(C=C3)CCNC(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C=C(C(=C2)C(=O)O)Cl

Isomeric SMILES

CCC1=NC2=C(N1C3=CC=C(C=C3)CCNC(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C=C(C(=C2)C(=O)O)Cl

InChI

InChI=1S/C26H25ClN4O5S/c1-3-24-29-22-14-20(25(32)33)21(27)15-23(22)31(24)18-8-6-17(7-9-18)12-13-28-26(34)30-37(35,36)19-10-4-16(2)5-11-19/h4-11,14-15H,3,12-13H2,1-2H3,(H,32,33)(H2,28,30,34)