(4-chlorophenyl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (4-chlorophenyl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (4-chlorophenyl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (4-chlorophenyl) ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OC3=CC=C(C=C3)Cl

InChI

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