ethyl 7-[methylsulfonyl-[[4-(1-oxidanyl-3-phenyl-propyl)phenyl]methyl]amino]heptanoate

Systemtic Name: ethyl 7-[methylsulfonyl-[[4-(1-oxidanyl-3-phenyl-propyl)phenyl]methyl]amino]heptanoate Openeye Name: ethyl 7-[[4-(1-hydroxy-3-phenyl-propyl)phenyl]methyl-methylsulfonyl-amino]heptanoate CAS Name: 7-[[4-(1-hydroxy-3-phenylpropyl)phenyl]methyl-methylsulfonylamino]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[[4-(1-hydroxy-3-phenylpropyl)phenyl]methyl-methylsulfonylamino]heptanoate Traditional Name: 7-[[4-(1-hydroxy-3-phenyl-propyl)benzyl]-mesyl-amino]enanthic acid ethyl ester Formula: C26H37NO5S MolecularWeight: 475.64068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCN(CC1=CC=C(C=C1)C(CCC2=CC=CC=C2)O)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCCCCCN(CC1=CC=C(C=C1)C(CCC2=CC=CC=C2)O)S(=O)(=O)C

InChI

InChI=1S/C26H37NO5S/c1-3-32-26(29)13-9-4-5-10-20-27(33(2,30)31)21-23-14-17-24(18-15-23)25(28)19-16-22-11-7-6-8-12-22/h6-8,11-12,14-15,17-18,25,28H,3-5,9-10,13,16,19-21H2,1-2H3