[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C24H29NO5S/c1-17-7-10-21(15-18(17)2)24(27)19(3)30-23(26)16-20-8-11-22(12-9-20)31(28,29)25-13-5-4-6-14-25/h7-12,15,19H,4-6,13-14,16H2,1-3H3