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

Systemtic Name: ethyl 4-[[butan-2-yl-[(3-methylsulfonyloxyphenyl)methyl]carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[(3-methylsulfonyloxyphenyl)methyl-sec-butyl-carbamoyl]amino]benzoate CAS Name: 4-[[[butan-2-yl-[(3-methylsulfonyloxyphenyl)methyl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[butan-2-yl-[(3-methylsulfonyloxyphenyl)methyl]carbamoyl]amino]benzoate Traditional Name: 4-[[(3-methylsulfonyloxybenzyl)-sec-butyl-carbamoyl]amino]benzoic acid ethyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

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