[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[[(1R)-1-(1-naphthyl)ethyl]amino]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[[(1R)-1-(1-naphthalenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-2-[[(1R)-1-(1-naphthyl)ethyl]amino]ethyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H21NO5S/c1-15(19-9-5-7-16-6-3-4-8-20(16)19)23-21(24)14-28-22(25)17-10-12-18(13-11-17)29(2,26)27/h3-13,15H,14H2,1-2H3,(H,23,24)/t15-/m1/s1