3-[4-[[2-(1-adamantyl)ethanoylamino]sulfamoyl]phenyl]propanoate

Systemtic Name: 3-[4-[[2-(1-adamantyl)ethanoylamino]sulfamoyl]phenyl]propanoate Openeye Name: 3-[4-[[[2-(1-adamantyl)acetyl]amino]sulfamoyl]phenyl]propanoate CAS Name: 3-[4-[[[2-(1-adamantyl)-1-oxoethyl]amino]sulfamoyl]phenyl]propanoate IUPAC Name: 3-[4-[[[2-(1-adamantyl)acetyl]amino]sulfamoyl]phenyl]propanoate Traditional Name: 3-[4-[[[2-(1-adamantyl)acetyl]amino]sulfamoyl]phenyl]propionate Formula: C21H27N2O5S- MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NNS(=O)(=O)C4=CC=C(C=C4)CCC(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NNS(=O)(=O)C4=CC=C(C=C4)CCC(=O)[O-]

InChI

InChI=1S/C21H28N2O5S/c24-19(13-21-10-15-7-16(11-21)9-17(8-15)12-21)22-23-29(27,28)18-4-1-14(2-5-18)3-6-20(25)26/h1-2,4-5,15-17,23H,3,6-13H2,(H,22,24)(H,25,26)/p-1