[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C24H29NO5S/c1-4-19-9-11-20(12-10-19)23(26)18(3)30-24(27)22-16-21(13-8-17(22)2)31(28,29)25-14-6-5-7-15-25/h8-13,16,18H,4-7,14-15H2,1-3H3