methyl 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfonyloxy-propanoyl]amino]octanoate

Systemtic Name: methyl 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfonyloxy-propanoyl]amino]octanoate Openeye Name: methyl 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfonyloxy-propanoyl]amino]octanoate CAS Name: 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfonyloxy-1-oxopropyl]amino]octanoic acid methyl ester IUPAC Name: methyl 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfonyloxypropanoyl]amino]octanoate Traditional Name: 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfonyloxy-propanoyl]amino]caprylic acid methyl ester Formula: C19H29ClN2O8S2 MolecularWeight: 513.02516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCNC(=O)C(COS(=O)(=O)C)NS(=O)(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

COC(=O)CCCCCCCNC(=O)C(COS(=O)(=O)C)NS(=O)(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C19H29ClN2O8S2/c1-29-18(23)8-6-4-3-5-7-13-21-19(24)17(14-30-31(2,25)26)22-32(27,28)16-11-9-15(20)10-12-16/h9-12,17,22H,3-8,13-14H2,1-2H3,(H,21,24)