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

Systemtic Name: 2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[3-(p-tolylmethylsulfonyl)indol-1-yl]ethanone CAS Name: 2-[3-[(4-methylphenyl)methylsulfonyl]-1-indolyl]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-[3-(4-methylbenzyl)sulfonylindol-1-yl]ethanone Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O3S/c1-23-11-13-25(14-12-23)22-36(34,35)28-20-32(27-10-6-5-9-26(27)28)21-29(33)31-17-15-30(16-18-31)19-24-7-3-2-4-8-24/h2-14,20H,15-19,21-22H2,1H3