(2-naphthalen-1-yl-2-oxidanylidene-ethyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-naphthalen-1-yl-2-oxidanylidene-ethyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(1-naphthyl)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-1-yl-2-oxoethyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-keto-2-(1-naphthyl)ethyl] ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC3=CC=CC=C32)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC3=CC=CC=C32)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H25NO5S/c1-18-12-13-20(16-24(18)32(29,30)26-14-5-2-6-15-26)25(28)31-17-23(27)22-11-7-9-19-8-3-4-10-21(19)22/h3-4,7-13,16H,2,5-6,14-15,17H2,1H3