[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(3,3-diphenylpropylamino)-2-keto-ethyl] ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H25NO5S/c1-32(29,30)22-14-8-13-21(17-22)25(28)31-18-24(27)26-16-15-23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-14,17,23H,15-16,18H2,1H3,(H,26,27)