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

Systemtic Name: 2-(4-cyanophenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: 2-(4-cyanophenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid 2-(4-cyanophenoxy)ethyl ester Formula: C22H23ClN2O5S MolecularWeight: 462.94642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCOC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCOC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C22H23ClN2O5S/c23-20-10-7-18(15-21(20)31(27,28)25-11-3-1-2-4-12-25)22(26)30-14-13-29-19-8-5-17(16-24)6-9-19/h5-10,15H,1-4,11-14H2