ethyl 4-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[3-(4-isopropylphenyl)propanoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[1-oxo-3-(4-propan-2-ylphenyl)propyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3-p-cumenylpropanoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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)CCC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H32N2O5S/c1-4-32-25(29)22-10-12-23(13-11-22)33(30,31)27-17-15-26(16-18-27)24(28)14-7-20-5-8-21(9-6-20)19(2)3/h5-6,8-13,19H,4,7,14-18H2,1-3H3