N-[3-(1-hexyl-3,4-dimethyl-piperidin-4-yl)phenyl]-1H-2,1,3-benzoxadiazole-3-sulfonamide

Systemtic Name: N-[3-(1-hexyl-3,4-dimethyl-piperidin-4-yl)phenyl]-1H-2,1,3-benzoxadiazole-3-sulfonamide Openeye Name: N-[3-(1-hexyl-3,4-dimethyl-4-piperidyl)phenyl]-1H-2,1,3-benzoxadiazole-3-sulfonamide CAS Name: N-[3-(1-hexyl-3,4-dimethyl-4-piperidinyl)phenyl]-1H-2,1,3-benzoxadiazole-3-sulfonamide IUPAC Name: N-[3-(1-hexyl-3,4-dimethylpiperidin-4-yl)phenyl]-1H-2,1,3-benzoxadiazole-3-sulfonamide Traditional Name: N-[3-(1-hexyl-3,4-dimethyl-4-piperidyl)phenyl]-3H-benzofurazan-1-sulfonamide Formula: C25H36N4O3S MolecularWeight: 472.64334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1)C)(C)C2=CC(=CC=C2)NS(=O)(=O)N3C4=CC=CC=C4NO3

Isomeric SMILES

CCCCCCN1CCC(C(C1)C)(C)C2=CC(=CC=C2)NS(=O)(=O)N3C4=CC=CC=C4NO3

InChI

InChI=1S/C25H36N4O3S/c1-4-5-6-9-16-28-17-15-25(3,20(2)19-28)21-11-10-12-22(18-21)27-33(30,31)29-24-14-8-7-13-23(24)26-32-29/h7-8,10-14,18,20,26-27H,4-6,9,15-17,19H2,1-3H3