(2-naphthalen-1-yl-2-oxidanylidene-ethyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (2-naphthalen-1-yl-2-oxidanylidene-ethyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(1-naphthyl)-2-oxo-ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-(1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-1-yl-2-oxoethyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-keto-2-(1-naphthyl)ethyl] ester Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C26H27NO5S/c1-18-13-19(2)16-27(15-18)33(30,31)22-10-5-9-21(14-22)26(29)32-17-25(28)24-12-6-8-20-7-3-4-11-23(20)24/h3-12,14,18-19H,13,15-17H2,1-2H3