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

Systemtic Name: 2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[3-(m-tolylmethylsulfonyl)indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[3-[(3-methylphenyl)methylsulfonyl]-1-indolyl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[3-(3-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=C1)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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