[2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [2-[1-(1-naphthyl)ethylamino]-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [2-[1-(1-naphthalenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [2-keto-2-[1-(1-naphthyl)ethylamino]ethyl] ester Formula: C23H23NO5S MolecularWeight: 425.49742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO5S/c1-16(20-9-5-7-18-6-3-4-8-21(18)20)24-22(25)14-29-23(26)19-12-10-17(11-13-19)15-30(2,27)28/h3-13,16H,14-15H2,1-2H3,(H,24,25)