methyl 4-[4-butoxy-3-(methylsulfonylamino)-5-phenyl-phenyl]butanoate

Systemtic Name: methyl 4-[4-butoxy-3-(methylsulfonylamino)-5-phenyl-phenyl]butanoate Openeye Name: methyl 4-[4-butoxy-3-(methanesulfonamido)-5-phenyl-phenyl]butanoate CAS Name: 4-[4-butoxy-3-(methanesulfonamido)-5-phenylphenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-butoxy-3-(methanesulfonamido)-5-phenylphenyl]butanoate Traditional Name: 4-[4-butoxy-3-(methanesulfonamido)-5-phenyl-phenyl]butyric acid methyl ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1C2=CC=CC=C2)CCCC(=O)OC)NS(=O)(=O)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1C2=CC=CC=C2)CCCC(=O)OC)NS(=O)(=O)C

InChI

InChI=1S/C22H29NO5S/c1-4-5-14-28-22-19(18-11-7-6-8-12-18)15-17(10-9-13-21(24)27-2)16-20(22)23-29(3,25)26/h6-8,11-12,15-16,23H,4-5,9-10,13-14H2,1-3H3