ethyl 4-[4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[[1-(2,5-dimethylphenyl)ethylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5S/c1-5-32-25(29)21-8-10-22(11-9-21)33(30,31)27-14-12-20(13-15-27)24(28)26-19(4)23-16-17(2)6-7-18(23)3/h6-11,16,19-20H,5,12-15H2,1-4H3,(H,26,28)