1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole

Systemtic Name: 1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole Openeye Name: 1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole CAS Name: 1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]-3-pyrazolyl]indazole IUPAC Name: 1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole Traditional Name: 1-cyclopentyl-3-ethyl-6-[1-(4-mesylbenzyl)pyrazol-3-yl]indazole Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C=CC(=C2)C3=NN(C=C3)CC4=CC=C(C=C4)S(=O)(=O)C)C5CCCC5

Isomeric SMILES

CCC1=NN(C2=C1C=CC(=C2)C3=NN(C=C3)CC4=CC=C(C=C4)S(=O)(=O)C)C5CCCC5

InChI

InChI=1S/C25H28N4O2S/c1-3-23-22-13-10-19(16-25(22)29(27-23)20-6-4-5-7-20)24-14-15-28(26-24)17-18-8-11-21(12-9-18)32(2,30)31/h8-16,20H,3-7,17H2,1-2H3