1H-benzimidazol-2-ylmethyl 4-[2-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate

Systemtic Name: 1H-benzimidazol-2-ylmethyl 4-[2-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate Openeye Name: 1H-benzimidazol-2-ylmethyl 4-[2-(p-tolylsulfonylamino)propanoylamino]benzoate CAS Name: 4-[[2-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]amino]benzoic acid 1H-benzimidazol-2-ylmethyl ester IUPAC Name: 1H-benzimidazol-2-ylmethyl 4-[2-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate Traditional Name: 4-[2-(tosylamino)propanoylamino]benzoic acid 1H-benzimidazol-2-ylmethyl ester Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NC2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NC2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H24N4O5S/c1-16-7-13-20(14-8-16)35(32,33)29-17(2)24(30)26-19-11-9-18(10-12-19)25(31)34-15-23-27-21-5-3-4-6-22(21)28-23/h3-14,17,29H,15H2,1-2H3,(H,26,30)(H,27,28)