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

Systemtic Name: ethyl 4-[[(3-ethylsulfonyloxyphenyl)methyl-propan-2-yl-carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[(3-ethylsulfonyloxyphenyl)methyl-isopropyl-carbamoyl]amino]benzoate CAS Name: 4-[[[(3-ethylsulfonyloxyphenyl)methyl-propan-2-ylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3-ethylsulfonyloxyphenyl)methyl-propan-2-ylcarbamoyl]amino]benzoate Traditional Name: 4-[[(3-esyloxybenzyl)-isopropyl-carbamoyl]amino]benzoic acid ethyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-5-29-21(25)18-10-12-19(13-11-18)23-22(26)24(16(3)4)15-17-8-7-9-20(14-17)30-31(27,28)6-2/h7-14,16H,5-6,15H2,1-4H3,(H,23,26)