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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C25H28N2O6S/c1-17(24(29)21-10-9-19-5-3-6-20(19)15-21)33-25(30)22-7-4-8-23(16-22)34(31,32)27-13-11-26(12-14-27)18(2)28/h4,7-10,15-17H,3,5-6,11-14H2,1-2H3/t17-/m0/s1