1-[1-(2,3-dihydro-1H-inden-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 1-[1-(2,3-dihydro-1H-inden-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 1-(1-indan-5-yl-2,5-dimethyl-pyrrol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 1-[1-(2,3-dihydro-1H-inden-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 1-[1-(2,3-dihydro-1H-inden-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-(1-indan-5-yl-2,5-dimethyl-pyrrol-3-yl)-2-(4-mesylpiperazino)ethanone Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(CCC3)C=C2)C)C(=O)CN4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(CCC3)C=C2)C)C(=O)CN4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O3S/c1-16-13-21(22(26)15-23-9-11-24(12-10-23)29(3,27)28)17(2)25(16)20-8-7-18-5-4-6-19(18)14-20/h7-8,13-14H,4-6,9-12,15H2,1-3H3