5-(2H-benzotriazol-5-ylcarbonylamino)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]pentanoic acid

Systemtic Name: 5-(2H-benzotriazol-5-ylcarbonylamino)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]pentanoic acid Openeye Name: 5-(2H-benzotriazole-5-carbonylamino)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]pentanoic acid CAS Name: 5-[[2H-benzotriazol-5-yl(oxo)methyl]amino]-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]pentanoic acid IUPAC Name: 5-(2H-benzotriazole-5-carbonylamino)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]pentanoic acid Traditional Name: 5-(2H-benzotriazole-5-carbonylamino)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]valeric acid Formula: C24H22ClN5O5S MolecularWeight: 527.97998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)Cl)S(=O)(=O)NC(CCCNC(=O)C3=CC4=NNN=C4C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)Cl)S(=O)(=O)NC(CCCNC(=O)C3=CC4=NNN=C4C=C3)C(=O)O

InChI

InChI=1S/C24H22ClN5O5S/c25-18-8-3-15(4-9-18)16-5-10-19(11-6-16)36(34,35)29-21(24(32)33)2-1-13-26-23(31)17-7-12-20-22(14-17)28-30-27-20/h3-12,14,21,29H,1-2,13H2,(H,26,31)(H,32,33)(H,27,28,30)