[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-indolin-1-ylsulfonylbenzoate CAS Name: 3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 3-indolin-1-ylsulfonylbenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29NO5S/c29-25(27-14-18-10-19(15-27)12-20(11-18)16-27)17-33-26(30)22-5-3-6-23(13-22)34(31,32)28-9-8-21-4-1-2-7-24(21)28/h1-7,13,18-20H,8-12,14-17H2