4-[2-[(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)sulfonylamino]ethoxy]benzoic acid

Systemtic Name: 4-[2-[(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)sulfonylamino]ethoxy]benzoic acid Openeye Name: 4-[2-[(1,3,6-trimethyl-2-oxo-benzimidazol-5-yl)sulfonylamino]ethoxy]benzoic acid CAS Name: 4-[2-[(1,3,6-trimethyl-2-oxo-5-benzimidazolyl)sulfonylamino]ethoxy]benzoic acid IUPAC Name: 4-[2-[(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]ethoxy]benzoic acid Traditional Name: 4-[2-[(2-keto-1,3,6-trimethyl-benzimidazol-5-yl)sulfonylamino]ethoxy]benzoic acid Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)NCCOC3=CC=C(C=C3)C(=O)O)N(C(=O)N2C)C

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)NCCOC3=CC=C(C=C3)C(=O)O)N(C(=O)N2C)C

InChI

InChI=1S/C19H21N3O6S/c1-12-10-15-16(22(3)19(25)21(15)2)11-17(12)29(26,27)20-8-9-28-14-6-4-13(5-7-14)18(23)24/h4-7,10-11,20H,8-9H2,1-3H3,(H,23,24)