2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[3-(o-tolylmethylsulfonyl)indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[3-[(2-methylphenyl)methylsulfonyl]-1-indolyl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[3-(2-methylbenzyl)sulfonylindol-1-yl]-1-(4-phenylpiperazino)ethanone Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3S/c1-22-9-5-6-10-23(22)21-35(33,34)27-19-31(26-14-8-7-13-25(26)27)20-28(32)30-17-15-29(16-18-30)24-11-3-2-4-12-24/h2-14,19H,15-18,20-21H2,1H3