(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=NN=C(O1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H21N3O5S/c1-13-18-19-16(25-13)12-24-17(21)14-6-8-15(9-7-14)26(22,23)20-10-4-2-3-5-11-20/h6-9H,2-5,10-12H2,1H3