1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: 1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid 1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)OC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)OC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O6S/c1-17-8-10-19(11-9-17)24-27-26-23(34-24)18(2)33-25(29)20-12-13-21(32-3)22(16-20)35(30,31)28-14-6-4-5-7-15-28/h8-13,16,18H,4-7,14-15H2,1-3H3