(2-azanyl-2-oxidanylidene-ethyl) 3-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]benzoate Openeye Name: (2-amino-2-oxo-ethyl) 3-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]benzoate CAS Name: 3-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]benzoate Traditional Name: 3-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]benzoic acid (2-amino-2-keto-ethyl) ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=CC(=C4)C(=O)OCC(=O)N

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=CC(=C4)C(=O)OCC(=O)N

InChI

InChI=1S/C21H28N2O5S/c1-13(21-9-14-5-15(10-21)7-16(6-14)11-21)23-29(26,27)18-4-2-3-17(8-18)20(25)28-12-19(22)24/h2-4,8,13-16,23H,5-7,9-12H2,1H3,(H2,22,24)/t13-,14?,15?,16?,21?/m1/s1