4-[4-(6-ethylsulfanyl-4-methyl-5-methylsulfonyl-2-phenyl-pyridin-3-yl)piperazin-1-yl]-1H-indole

Systemtic Name: 4-[4-(6-ethylsulfanyl-4-methyl-5-methylsulfonyl-2-phenyl-pyridin-3-yl)piperazin-1-yl]-1H-indole Openeye Name: 4-[4-(6-ethylsulfanyl-4-methyl-5-methylsulfonyl-2-phenyl-3-pyridyl)piperazin-1-yl]-1H-indole CAS Name: 4-[4-[6-(ethylthio)-4-methyl-5-methylsulfonyl-2-phenyl-3-pyridinyl]-1-piperazinyl]-1H-indole IUPAC Name: 4-[4-(6-ethylsulfanyl-4-methyl-5-methylsulfonyl-2-phenylpyridin-3-yl)piperazin-1-yl]-1H-indole Traditional Name: 4-[4-[6-(ethylthio)-5-mesyl-4-methyl-2-phenyl-3-pyridyl]piperazino]-1H-indole Formula: C27H30N4O2S2 MolecularWeight: 506.6827

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=C(C(=N1)C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC5=C4C=CN5)C)S(=O)(=O)C

Isomeric SMILES

CCSC1=C(C(=C(C(=N1)C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC5=C4C=CN5)C)S(=O)(=O)C

InChI

InChI=1S/C27H30N4O2S2/c1-4-34-27-26(35(3,32)33)19(2)25(24(29-27)20-9-6-5-7-10-20)31-17-15-30(16-18-31)23-12-8-11-22-21(23)13-14-28-22/h5-14,28H,4,15-18H2,1-3H3