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

Systemtic Name: methyl 3-[4-[[2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfonyloxy-propanoyl]amino]phenyl]propanoate Openeye Name: methyl 3-[4-[[2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfonyloxy-propanoyl]amino]phenyl]propanoate CAS Name: 3-[4-[[2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfonyloxy-1-oxopropyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[[2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfonyloxypropanoyl]amino]phenyl]propanoate Traditional Name: 3-[4-[[2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfonyloxy-propanoyl]amino]phenyl]propionic acid methyl ester Formula: C20H23ClN2O8S2 MolecularWeight: 518.98822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)NC(=O)C(COS(=O)(=O)C)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)NC(=O)C(COS(=O)(=O)C)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H23ClN2O8S2/c1-30-19(24)12-5-14-3-8-16(9-4-14)22-20(25)18(13-31-32(2,26)27)23-33(28,29)17-10-6-15(21)7-11-17/h3-4,6-11,18,23H,5,12-13H2,1-2H3,(H,22,25)