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

Systemtic Name: ethyl 4-[[2-methylpropyl-[(3-methylsulfonyloxyphenyl)methyl]carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[isobutyl-[(3-methylsulfonyloxyphenyl)methyl]carbamoyl]amino]benzoate CAS Name: 4-[[[2-methylpropyl-[(3-methylsulfonyloxyphenyl)methyl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-methylpropyl-[(3-methylsulfonyloxyphenyl)methyl]carbamoyl]amino]benzoate Traditional Name: 4-[[isobutyl-(3-methylsulfonyloxybenzyl)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)C)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-5-29-21(25)18-9-11-19(12-10-18)23-22(26)24(14-16(2)3)15-17-7-6-8-20(13-17)30-31(4,27)28/h6-13,16H,5,14-15H2,1-4H3,(H,23,26)