(2-ethoxyphenyl) 3-(1-adamantylcarbamoyl)benzenesulfonate

Systemtic Name: (2-ethoxyphenyl) 3-(1-adamantylcarbamoyl)benzenesulfonate Openeye Name: (2-ethoxyphenyl) 3-(1-adamantylcarbamoyl)benzenesulfonate CAS Name: 3-[(1-adamantylamino)-oxomethyl]benzenesulfonic acid (2-ethoxyphenyl) ester IUPAC Name: (2-ethoxyphenyl) 3-(1-adamantylcarbamoyl)benzenesulfonate Traditional Name: 3-(1-adamantylcarbamoyl)benzenesulfonic acid o-phenetyl ester Formula: C25H29NO5S MolecularWeight: 455.56646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29NO5S/c1-2-30-22-8-3-4-9-23(22)31-32(28,29)21-7-5-6-20(13-21)24(27)26-25-14-17-10-18(15-25)12-19(11-17)16-25/h3-9,13,17-19H,2,10-12,14-16H2,1H3,(H,26,27)