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

Systemtic Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Openeye Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]propanoic acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]propionic acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=NOC(=N1)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H25N3O5S/c1-15-20-18(27-21-15)14-26-19(23)11-8-16-6-9-17(10-7-16)28(24,25)22-12-4-2-3-5-13-22/h6-7,9-10H,2-5,8,11-14H2,1H3