ethyl 4-[[(3-methylsulfonyloxyphenyl)methyl-propan-2-yl-carbamoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(3-methylsulfonyloxyphenyl)methyl-propan-2-yl-carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[isopropyl-[(3-methylsulfonyloxyphenyl)methyl]carbamoyl]amino]benzoate CAS Name: 4-[[[(3-methylsulfonyloxyphenyl)methyl-propan-2-ylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3-methylsulfonyloxyphenyl)methyl-propan-2-ylcarbamoyl]amino]benzoate Traditional Name: 4-[[isopropyl-(3-methylsulfonyloxybenzyl)carbamoyl]amino]benzoic acid ethyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)C(C)C

InChI

InChI=1S/C21H26N2O6S/c1-5-28-20(24)17-9-11-18(12-10-17)22-21(25)23(15(2)3)14-16-7-6-8-19(13-16)29-30(4,26)27/h6-13,15H,5,14H2,1-4H3,(H,22,25)