N-[6-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]-1H-benzimidazol-2-yl]methanesulfonamide

Systemtic Name: N-[6-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]-1H-benzimidazol-2-yl]methanesulfonamide Openeye Name: N-[6-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]-1H-benzimidazol-2-yl]methanesulfonamide CAS Name: N-[6-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidinyl]-1H-benzimidazol-2-yl]methanesulfonamide IUPAC Name: N-[6-[(3R,4S)-1-hexyl-3,4-dimethylpiperidin-4-yl]-1H-benzimidazol-2-yl]methanesulfonamide Traditional Name: N-[6-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]-1H-benzimidazol-2-yl]methanesulfonamide Formula: C21H34N4O2S MolecularWeight: 406.58526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1)C)(C)C2=CC3=C(C=C2)N=C(N3)NS(=O)(=O)C

Isomeric SMILES

CCCCCCN1CC[C@]([C@H](C1)C)(C)C2=CC3=C(C=C2)N=C(N3)NS(=O)(=O)C

InChI

InChI=1S/C21H34N4O2S/c1-5-6-7-8-12-25-13-11-21(3,16(2)15-25)17-9-10-18-19(14-17)23-20(22-18)24-28(4,26)27/h9-10,14,16H,5-8,11-13,15H2,1-4H3,(H2,22,23,24)/t16-,21-/m0/s1