[1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: [2-(dibenzylamino)-1-methyl-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [1-[bis(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(dibenzylamino)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(dibenzylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

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