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

Systemtic Name: 4-chloranyl-N-[(3S,5R)-3,5-dimethyl-1-adamantyl]benzenesulfonamide Openeye Name: 4-chloro-N-[(3S,5R)-3,5-dimethyl-1-adamantyl]benzenesulfonamide CAS Name: 4-chloro-N-[(3S,5R)-3,5-dimethyl-1-adamantyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(3S,5R)-3,5-dimethyl-1-adamantyl]benzenesulfonamide Traditional Name: 4-chloro-N-[(3S,5R)-3,5-dimethyl-1-adamantyl]benzenesulfonamide Formula: C18H24ClNO2S MolecularWeight: 353.90666

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NS(=O)(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NS(=O)(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C18H24ClNO2S/c1-16-7-13-8-17(2,10-16)12-18(9-13,11-16)20-23(21,22)15-5-3-14(19)4-6-15/h3-6,13,20H,7-12H2,1-2H3/t13?,16-,17+,18?