2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-indan-5-yl-ethanone CAS Name: 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-indan-5-yl-ethanone Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N2O3S/c25-22(16-19-9-10-20-7-4-8-21(20)15-19)23-11-13-24(14-12-23)28(26,27)17-18-5-2-1-3-6-18/h1-3,5-6,9-10,15H,4,7-8,11-14,16-17H2