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

Systemtic Name: methyl 3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyloxymethyl]benzoate Openeye Name: methyl 3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyloxymethyl]benzoate CAS Name: 3-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyloxymethyl]benzoate Traditional Name: 3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyloxymethyl]benzoic acid methyl ester Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO6S/c1-30-24(27)21-8-6-7-20(17-21)18-31-23(26)14-11-19-9-12-22(13-10-19)32(28,29)25-15-4-2-3-5-16-25/h6-10,12-13,17H,2-5,11,14-16,18H2,1H3