ethyl 2-[[4-(3-acetamidopropylsulfonyloxy)-3,3-dimethyl-butyl]carbamoyloxy]benzoate

Systemtic Name: ethyl 2-[[4-(3-acetamidopropylsulfonyloxy)-3,3-dimethyl-butyl]carbamoyloxy]benzoate Openeye Name: ethyl 2-[[4-(3-acetamidopropylsulfonyloxy)-3,3-dimethyl-butyl]carbamoyloxy]benzoate CAS Name: 2-[[[4-(3-acetamidopropylsulfonyloxy)-3,3-dimethylbutyl]amino]-oxomethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3-acetamidopropylsulfonyloxy)-3,3-dimethylbutyl]carbamoyloxy]benzoate Traditional Name: 2-[[4-(3-acetamidopropylsulfonyloxy)-3,3-dimethyl-butyl]carbamoyloxy]benzoic acid ethyl ester Formula: C21H32N2O8S MolecularWeight: 472.55238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1OC(=O)NCCC(C)(C)COS(=O)(=O)CCCNC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1OC(=O)NCCC(C)(C)COS(=O)(=O)CCCNC(=O)C

InChI

InChI=1S/C21H32N2O8S/c1-5-29-19(25)17-9-6-7-10-18(17)31-20(26)23-13-11-21(3,4)15-30-32(27,28)14-8-12-22-16(2)24/h6-7,9-10H,5,8,11-15H2,1-4H3,(H,22,24)(H,23,26)