ethyl 4-[3-chloranyl-4-[2-chloroethyl-(4-methylphenyl)sulfonyl-amino]butoxy]benzoate

Systemtic Name: ethyl 4-[3-chloranyl-4-[2-chloroethyl-(4-methylphenyl)sulfonyl-amino]butoxy]benzoate Openeye Name: ethyl 4-[3-chloro-4-[2-chloroethyl(p-tolylsulfonyl)amino]butoxy]benzoate CAS Name: 4-[3-chloro-4-[2-chloroethyl-(4-methylphenyl)sulfonylamino]butoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-chloro-4-[2-chloroethyl-(4-methylphenyl)sulfonylamino]butoxy]benzoate Traditional Name: 4-[3-chloro-4-[2-chloroethyl(tosyl)amino]butoxy]benzoic acid ethyl ester Formula: C22H27Cl2NO5S MolecularWeight: 488.42448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCCC(CN(CCCl)S(=O)(=O)C2=CC=C(C=C2)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCCC(CN(CCCl)S(=O)(=O)C2=CC=C(C=C2)C)Cl

InChI

InChI=1S/C22H27Cl2NO5S/c1-3-29-22(26)18-6-8-20(9-7-18)30-15-12-19(24)16-25(14-13-23)31(27,28)21-10-4-17(2)5-11-21/h4-11,19H,3,12-16H2,1-2H3