2-oxidanylidenepropyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: 2-oxidanylidenepropyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: acetonyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid acetonyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-17(24)16-28-21(25)19-8-5-9-20(14-19)29(26,27)23-12-10-22(11-13-23)15-18-6-3-2-4-7-18/h2-9,14H,10-13,15-16H2,1H3