(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]propanoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]propionic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=NN=C(O3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=NN=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O5S/c28-23(31-18-22-25-26-24(32-22)20-8-4-3-5-9-20)15-12-19-10-13-21(14-11-19)33(29,30)27-16-6-1-2-7-17-27/h3-5,8-11,13-14H,1-2,6-7,12,15-18H2