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

Systemtic Name: (3-cyanophenyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (3-cyanophenyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (3-cyanophenyl) ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C#N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C#N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H22N2O5S/c1-27-19-10-9-17(21(24)28-18-8-6-7-16(13-18)15-22)14-20(19)29(25,26)23-11-4-2-3-5-12-23/h6-10,13-14H,2-5,11-12H2,1H3