5-methoxy-3-[1-(4-methylphenyl)sulfonyltridecyl]-2H-indazole

Systemtic Name: 5-methoxy-3-[1-(4-methylphenyl)sulfonyltridecyl]-2H-indazole Openeye Name: 5-methoxy-3-[1-(p-tolylsulfonyl)tridecyl]-2H-indazole CAS Name: 5-methoxy-3-[1-(4-methylphenyl)sulfonyltridecyl]-2H-indazole IUPAC Name: 5-methoxy-3-[1-(4-methylphenyl)sulfonyltridecyl]-2H-indazole Traditional Name: 5-methoxy-3-(1-tosyltridecyl)-2H-indazole Formula: C28H40N2O3S MolecularWeight: 484.6938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1=C2C=C(C=CC2=NN1)OC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCCCC(C1=C2C=C(C=CC2=NN1)OC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H40N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-27(34(31,32)24-18-15-22(2)16-19-24)28-25-21-23(33-3)17-20-26(25)29-30-28/h15-21,27H,4-14H2,1-3H3,(H,29,30)