ethyl 4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(1,2-dimethylpropylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[(3-methylbutan-2-ylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(1,2-dimethylpropylcarbamoyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-5-27-20(24)17-6-8-18(9-7-17)28(25,26)22-12-10-16(11-13-22)19(23)21-15(4)14(2)3/h6-9,14-16H,5,10-13H2,1-4H3,(H,21,23)