(5-methyl-2-oxidanylidene-oxolan-3-yl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (5-methyl-2-oxidanylidene-oxolan-3-yl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (5-methyl-2-oxo-tetrahydrofuran-3-yl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (5-methyl-2-oxo-3-oxolanyl) ester IUPAC Name: (5-methyl-2-oxooxolan-3-yl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid (2-keto-5-methyl-tetrahydrofuran-3-yl) ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1CC(C(=O)O1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N2O6S/c1-16-14-20(22(26)29-16)30-21(25)17-6-5-9-19(15-17)31(27,28)24-12-10-23(11-13-24)18-7-3-2-4-8-18/h2-9,15-16,20H,10-14H2,1H3