(4-methoxyphenyl) 5-(azepan-1-ylsulfonyl)-2-chloranyl-benzoate

Systemtic Name: (4-methoxyphenyl) 5-(azepan-1-ylsulfonyl)-2-chloranyl-benzoate Openeye Name: (4-methoxyphenyl) 5-(azepan-1-ylsulfonyl)-2-chloro-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-chlorobenzoic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 5-(azepan-1-ylsulfonyl)-2-chlorobenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-benzoic acid (4-methoxyphenyl) ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO5S/c1-26-15-6-8-16(9-7-15)27-20(23)18-14-17(10-11-19(18)21)28(24,25)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3