ethyl 4-[4-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[1-(4-isopropylphenyl)ethylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[oxo-[1-(4-propan-2-ylphenyl)ethylamino]methyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(1-p-cumenylethylcarbamoyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C26H34N2O5S/c1-5-33-26(30)23-10-12-24(13-11-23)34(31,32)28-16-14-22(15-17-28)25(29)27-19(4)21-8-6-20(7-9-21)18(2)3/h6-13,18-19,22H,5,14-17H2,1-4H3,(H,27,29)