(5-ethanoyl-2-methoxy-phenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]propanoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]propionic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C25H31NO6S MolecularWeight: 473.58174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO6S/c1-19(27)21-10-13-24(31-2)22(17-21)18-32-25(28)14-9-20-7-11-23(12-8-20)33(29,30)26-15-5-3-4-6-16-26/h7-8,10-13,17H,3-6,9,14-16,18H2,1-2H3