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

Systemtic Name: methyl 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfonyloxy-propanoyl]amino]butanoate Openeye Name: methyl 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfonyloxy-propanoyl]amino]butanoate CAS Name: 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfonyloxy-1-oxopropyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfonyloxypropanoyl]amino]butanoate Traditional Name: 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfonyloxy-propanoyl]amino]butyric acid methyl ester Formula: C15H21ClN2O8S2 MolecularWeight: 456.91884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O8S2/c1-25-14(19)4-3-9-17-15(20)13(10-26-27(2,21)22)18-28(23,24)12-7-5-11(16)6-8-12/h5-8,13,18H,3-4,9-10H2,1-2H3,(H,17,20)