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

Systemtic Name: (4-methoxyphenyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (4-methoxyphenyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (4-methoxyphenyl) ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25NO6S/c1-26-17-8-10-18(11-9-17)28-21(23)16-7-12-19(27-2)20(15-16)29(24,25)22-13-5-3-4-6-14-22/h7-12,15H,3-6,13-14H2,1-2H3