[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate CAS Name: 4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 4-(p-phenetylsulfonylamino)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31NO6S/c1-2-33-23-7-9-24(10-8-23)35(31,32)28-22-5-3-21(4-6-22)26(30)34-17-25(29)27-14-18-11-19(15-27)13-20(12-18)16-27/h3-10,18-20,28H,2,11-17H2,1H3