[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [(1R)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29N3O6S/c1-13(20(27)25-17-2-4-18(5-3-17)32(23,29)30)31-19(26)12-24-21(28)22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,13-16H,6-12H2,1H3,(H,24,28)(H,25,27)(H2,23,29,30)/t13-,14?,15?,16?,22?/m1/s1