1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[(2-methylphenyl)amino]ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[(2-methylphenyl)amino]ethanone Openeye Name: 1-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-(2-methylanilino)ethanone CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-(2-methylanilino)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(2-methylanilino)ethanone Traditional Name: 1-(4-indan-5-ylsulfonylpiperazino)-2-(o-toluidino)ethanone Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=CC=CC=C1NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C22H27N3O3S/c1-17-5-2-3-8-21(17)23-16-22(26)24-11-13-25(14-12-24)29(27,28)20-10-9-18-6-4-7-19(18)15-20/h2-3,5,8-10,15,23H,4,6-7,11-14,16H2,1H3