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

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic 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)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O5S/c23-18-11-10-17(14-19(18)32(28,29)26-12-6-1-2-7-13-26)22(27)30-15-20-24-25-21(31-20)16-8-4-3-5-9-16/h3-5,8-11,14H,1-2,6-7,12-13,15H2