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

Systemtic Name: methyl 4-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]benzoate CAS Name: 4-[[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]benzoate Traditional Name: 4-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]benzoic acid methyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S/c1-31-24(28)21-11-6-20(7-12-21)18-25-23(27)15-10-19-8-13-22(14-9-19)32(29,30)26-16-4-2-3-5-17-26/h6-9,11-14H,2-5,10,15-18H2,1H3,(H,25,27)