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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1S(=O)(=O)C)SCCN2CCN(CC2)C3=CC=CC4=C3C=CN4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC(=C1S(=O)(=O)C)SCCN2CCN(CC2)C3=CC=CC4=C3C=CN4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N4O2S2/c1-20-19-24(21-7-4-3-5-8-21)29-27(26(20)35(2,32)33)34-18-17-30-13-15-31(16-14-30)25-10-6-9-23-22(25)11-12-28-23/h3-12,19,28H,13-18H2,1-2H3