3-[1-(4-methylphenyl)sulfonyl-6-phenylmethoxy-hexyl]-2H-indazole

Systemtic Name: 3-[1-(4-methylphenyl)sulfonyl-6-phenylmethoxy-hexyl]-2H-indazole Openeye Name: 3-[6-benzyloxy-1-(p-tolylsulfonyl)hexyl]-2H-indazole CAS Name: 3-[1-(4-methylphenyl)sulfonyl-6-phenylmethoxyhexyl]-2H-indazole IUPAC Name: 3-[1-(4-methylphenyl)sulfonyl-6-phenylmethoxyhexyl]-2H-indazole Traditional Name: 3-(6-benzoxy-1-tosyl-hexyl)-2H-indazole Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCOCC2=CC=CC=C2)C3=C4C=CC=CC4=NN3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCOCC2=CC=CC=C2)C3=C4C=CC=CC4=NN3

InChI

InChI=1S/C27H30N2O3S/c1-21-15-17-23(18-16-21)33(30,31)26(27-24-12-7-8-13-25(24)28-29-27)14-6-3-9-19-32-20-22-10-4-2-5-11-22/h2,4-5,7-8,10-13,15-18,26H,3,6,9,14,19-20H2,1H3,(H,28,29)