N-[(S)-1-adamantyl(cyano)methyl]-2,4,6-trimethyl-benzenesulfonamide

Systemtic Name: N-[(S)-1-adamantyl(cyano)methyl]-2,4,6-trimethyl-benzenesulfonamide Openeye Name: N-[(S)-1-adamantyl(cyano)methyl]-2,4,6-trimethyl-benzenesulfonamide CAS Name: N-[(S)-1-adamantyl(cyano)methyl]-2,4,6-trimethylbenzenesulfonamide IUPAC Name: N-[(S)-1-adamantyl(cyano)methyl]-2,4,6-trimethylbenzenesulfonamide Traditional Name: N-[(S)-1-adamantyl(cyano)methyl]-2,4,6-trimethyl-benzenesulfonamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(C#N)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N[C@H](C#N)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H28N2O2S/c1-13-4-14(2)20(15(3)5-13)26(24,25)23-19(12-22)21-9-16-6-17(10-21)8-18(7-16)11-21/h4-5,16-19,23H,6-11H2,1-3H3/t16?,17?,18?,19-,21?/m1/s1