2-[(4-methylphenyl)sulfonylamino]-3-[[2-(2-piperidin-4-ylethyl)-3H-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-3-[[2-(2-piperidin-4-ylethyl)-3H-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-[2-(4-piperidyl)ethyl]-3H-benzimidazole-5-carbonyl]amino]-2-(p-tolylsulfonylamino)propanoic acid CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-[[oxo-[2-[2-(4-piperidinyl)ethyl]-3H-benzimidazol-5-yl]methyl]amino]propanoic acid IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-3-[[2-(2-piperidin-4-ylethyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-[2-(4-piperidyl)ethyl]-3H-benzimidazole-5-carbonyl]amino]-2-(tosylamino)propionic acid Formula: C25H31N5O5S MolecularWeight: 513.60914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC3=C(C=C2)N=C(N3)CCC4CCNCC4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC3=C(C=C2)N=C(N3)CCC4CCNCC4)C(=O)O

InChI

InChI=1S/C25H31N5O5S/c1-16-2-6-19(7-3-16)36(34,35)30-22(25(32)33)15-27-24(31)18-5-8-20-21(14-18)29-23(28-20)9-4-17-10-12-26-13-11-17/h2-3,5-8,14,17,22,26,30H,4,9-13,15H2,1H3,(H,27,31)(H,28,29)(H,32,33)