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

Systemtic Name: methyl 2-[4-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[1-(4-isopropylphenyl)ethylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-[1-(4-propan-2-ylphenyl)ethylamino]methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(1-p-cumenylethylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

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