[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-(2-methylindolin-1-yl)sulfonylbenzoate CAS Name: 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Traditional Name: 3-(2-methylindolin-1-yl)sulfonylbenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C28H31NO5S MolecularWeight: 493.61444

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H31NO5S/c1-18-9-22-5-2-3-8-25(22)29(18)35(32,33)24-7-4-6-23(13-24)27(31)34-17-26(30)28-14-19-10-20(15-28)12-21(11-19)16-28/h2-8,13,18-21H,9-12,14-17H2,1H3