[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C20H23NO5S/c1-15(2)21(13-16-7-5-4-6-8-16)19(22)14-26-20(23)17-9-11-18(12-10-17)27(3,24)25/h4-12,15H,13-14H2,1-3H3