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

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (3-phenyl-1,2,4-oxadiazol-5-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=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

InChI

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