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

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S/c26-22(29-16-20-23-24-21(30-20)17-9-4-3-5-10-17)18-11-8-12-19(15-18)31(27,28)25-13-6-1-2-7-14-25/h3-5,8-12,15H,1-2,6-7,13-14,16H2