2-(4-cyanophenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: 2-(4-cyanophenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid 2-(4-cyanophenoxy)ethyl ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCCOC2=CC=C(C=C2)C#N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCCOC2=CC=C(C=C2)C#N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H26N2O6S/c1-29-21-11-8-19(16-22(21)32(27,28)25-12-4-2-3-5-13-25)23(26)31-15-14-30-20-9-6-18(17-24)7-10-20/h6-11,16H,2-5,12-15H2,1H3