1-adamantylmethyl 4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)sulfonylamino]benzoate

Systemtic Name: 1-adamantylmethyl 4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)sulfonylamino]benzoate Openeye Name: 1-adamantylmethyl 4-[(1,3-dimethyl-2-oxo-benzimidazol-5-yl)sulfonylamino]benzoate CAS Name: 4-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)sulfonylamino]benzoic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]benzoate Traditional Name: 4-[(2-keto-1,3-dimethyl-benzimidazol-5-yl)sulfonylamino]benzoic acid 1-adamantylmethyl ester Formula: C27H31N3O5S MolecularWeight: 509.61714

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC45CC6CC(C4)CC(C6)C5)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC45CC6CC(C4)CC(C6)C5)N(C1=O)C

InChI

InChI=1S/C27H31N3O5S/c1-29-23-8-7-22(12-24(23)30(2)26(29)32)36(33,34)28-21-5-3-20(4-6-21)25(31)35-16-27-13-17-9-18(14-27)11-19(10-17)15-27/h3-8,12,17-19,28H,9-11,13-16H2,1-2H3