2-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]butanedioic acid

Systemtic Name: 2-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]butanedioic acid Openeye Name: 2-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]butanedioic acid CAS Name: 2-[[4-[(2-methyl-1-benzimidazolyl)methyl]phenyl]sulfonylamino]butanedioic acid IUPAC Name: 2-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]butanedioic acid Traditional Name: 2-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]succinic acid Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)S(=O)(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)S(=O)(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C19H19N3O6S/c1-12-20-15-4-2-3-5-17(15)22(12)11-13-6-8-14(9-7-13)29(27,28)21-16(19(25)26)10-18(23)24/h2-9,16,21H,10-11H2,1H3,(H,23,24)(H,25,26)