cyanomethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: cyanomethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: cyanomethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid cyanomethyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC#N)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC#N)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H20N2O5S/c1-22-14-7-6-13(16(19)23-11-8-17)12-15(14)24(20,21)18-9-4-2-3-5-10-18/h6-7,12H,2-5,9-11H2,1H3