N-[[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]octane-1-sulfonamide

Systemtic Name: N-[[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]octane-1-sulfonamide Openeye Name: N-[[1-(3-benzyl-1,2,4-thiadiazol-5-yl)-4-piperidyl]methyl]octane-1-sulfonamide CAS Name: N-[[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-4-piperidinyl]methyl]-1-octanesulfonamide IUPAC Name: N-[[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]octane-1-sulfonamide Traditional Name: N-[[1-(3-benzyl-1,2,4-thiadiazol-5-yl)-4-piperidyl]methyl]octane-1-sulfonamide Formula: C23H36N4O2S2 MolecularWeight: 464.68754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NCC1CCN(CC1)C2=NC(=NS2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCS(=O)(=O)NCC1CCN(CC1)C2=NC(=NS2)CC3=CC=CC=C3

InChI

InChI=1S/C23H36N4O2S2/c1-2-3-4-5-6-10-17-31(28,29)24-19-21-13-15-27(16-14-21)23-25-22(26-30-23)18-20-11-8-7-9-12-20/h7-9,11-12,21,24H,2-6,10,13-19H2,1H3