[1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (2-indan-5-yl-1-methyl-2-oxo-ethyl) 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid (2-indan-5-yl-2-keto-1-methyl-ethyl) ester Formula: C25H28N2O6S MolecularWeight: 484.56462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C25H28N2O6S/c1-17(24(29)22-7-6-19-4-3-5-21(19)16-22)33-25(30)20-8-10-23(11-9-20)34(31,32)27-14-12-26(13-15-27)18(2)28/h6-11,16-17H,3-5,12-15H2,1-2H3