methyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyloxy]benzoate

Systemtic Name: methyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyloxy]benzoate Openeye Name: methyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyloxy]benzoate CAS Name: 4-[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyloxy]benzoate Traditional Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyloxy]benzoic acid methyl ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H27NO6S/c1-29-23(26)19-9-11-20(12-10-19)30-22(25)15-8-18-6-13-21(14-7-18)31(27,28)24-16-4-2-3-5-17-24/h6-7,9-14H,2-5,8,15-17H2,1H3