ethyl 2-[(4-chloranyl-2,5-dimethyl-phenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: ethyl 2-[(4-chloranyl-2,5-dimethyl-phenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-[(4-chloro-2,5-dimethyl-phenyl)sulfonylamino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-[(4-chloro-2,5-dimethyl-phenyl)sulfonylamino]-6-(tosylamino)hexanoic acid ethyl ester Formula: C23H31ClN2O6S2 MolecularWeight: 531.08504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)C

Isomeric SMILES

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)C

InChI

InChI=1S/C23H31ClN2O6S2/c1-5-32-23(27)21(26-34(30,31)22-15-17(3)20(24)14-18(22)4)8-6-7-13-25-33(28,29)19-11-9-16(2)10-12-19/h9-12,14-15,21,25-26H,5-8,13H2,1-4H3