[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methylpentanoate

Systemtic Name: [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-(4-indan-5-ylsulfonylpiperazino)-2-keto-ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC(C)CCC(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C21H30N2O5S/c1-16(2)6-9-21(25)28-15-20(24)22-10-12-23(13-11-22)29(26,27)19-8-7-17-4-3-5-18(17)14-19/h7-8,14,16H,3-6,9-13,15H2,1-2H3