3-methyl-2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]butyric acid Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC2=CC=CC=C2N1CC3=CC=C(C=C3)S(=O)(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1NC2=CC=CC=C2N1CC3=CC=C(C=C3)S(=O)(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C20H25N3O4S/c1-13(2)19(20(24)25)22-28(26,27)16-10-8-15(9-11-16)12-23-14(3)21-17-6-4-5-7-18(17)23/h4-11,13-14,19,21-22H,12H2,1-3H3,(H,24,25)