ethyl 4-[4-[2-(3-methoxy-4-methyl-phenyl)ethanoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-(3-methoxy-4-methyl-phenyl)ethanoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(3-methoxy-4-methyl-phenyl)acetyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-(3-methoxy-4-methylphenyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(3-methoxy-4-methylphenyl)acetyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(3-methoxy-4-methyl-phenyl)acetyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC(=C(C=C3)C)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC(=C(C=C3)C)OC

InChI

InChI=1S/C23H28N2O6S/c1-4-31-23(27)19-7-9-20(10-8-19)32(28,29)25-13-11-24(12-14-25)22(26)16-18-6-5-17(2)21(15-18)30-3/h5-10,15H,4,11-14,16H2,1-3H3