ethyl 4-[4-[2-hydroxyethyl-(4-methylphenyl)sulfonyl-amino]-3-oxidanyl-butoxy]benzoate

Systemtic Name: ethyl 4-[4-[2-hydroxyethyl-(4-methylphenyl)sulfonyl-amino]-3-oxidanyl-butoxy]benzoate Openeye Name: ethyl 4-[3-hydroxy-4-[2-hydroxyethyl(p-tolylsulfonyl)amino]butoxy]benzoate CAS Name: 4-[3-hydroxy-4-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]butoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-hydroxy-4-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]butoxy]benzoate Traditional Name: 4-[3-hydroxy-4-[2-hydroxyethyl(tosyl)amino]butoxy]benzoic acid ethyl ester Formula: C22H29NO7S MolecularWeight: 451.53316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO7S/c1-3-29-22(26)18-6-8-20(9-7-18)30-15-12-19(25)16-23(13-14-24)31(27,28)21-10-4-17(2)5-11-21/h4-11,19,24-25H,3,12-16H2,1-2H3