2-[3-(4-methylphenyl)sulfonylindol-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 1-(1-piperidyl)-2-[3-(p-tolylsulfonyl)indol-1-yl]ethanone CAS Name: 2-[3-(4-methylphenyl)sulfonyl-1-indolyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-1-piperidin-1-ylethanone Traditional Name: 1-piperidino-2-(3-tosylindol-1-yl)ethanone Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4

InChI

InChI=1S/C22H24N2O3S/c1-17-9-11-18(12-10-17)28(26,27)21-15-24(20-8-4-3-7-19(20)21)16-22(25)23-13-5-2-6-14-23/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3