4-[(3R,5S)-3,5-dimethyl-1-adamantyl]benzenesulfonamide

Systemtic Name: 4-[(3R,5S)-3,5-dimethyl-1-adamantyl]benzenesulfonamide Openeye Name: 4-[(3R,5S)-3,5-dimethyl-1-adamantyl]benzenesulfonamide CAS Name: 4-[(3R,5S)-3,5-dimethyl-1-adamantyl]benzenesulfonamide IUPAC Name: 4-[(3R,5S)-3,5-dimethyl-1-adamantyl]benzenesulfonamide Traditional Name: 4-[(3R,5S)-3,5-dimethyl-1-adamantyl]benzenesulfonamide Formula: C18H25NO2S MolecularWeight: 319.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C4=CC=C(C=C4)S(=O)(=O)N)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C4=CC=C(C=C4)S(=O)(=O)N)C

InChI

InChI=1S/C18H25NO2S/c1-16-7-13-8-17(2,10-16)12-18(9-13,11-16)14-3-5-15(6-4-14)22(19,20)21/h3-6,13H,7-12H2,1-2H3,(H2,19,20,21)/t13?,16-,17+,18?