methyl 4-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzoate CAS Name: 4-[[2-(4-methoxyphenyl)-1-azepanyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzoate Traditional Name: 4-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzoic acid methyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H25NO5S/c1-26-18-11-7-16(8-12-18)20-6-4-3-5-15-22(20)28(24,25)19-13-9-17(10-14-19)21(23)27-2/h7-14,20H,3-6,15H2,1-2H3