methyl 4-[[2-(pentanoylamino)phenyl]methyl]benzoate; 2-sulfonylmorpholine

Systemtic Name: methyl 4-[[2-(pentanoylamino)phenyl]methyl]benzoate; 2-sulfonylmorpholine Openeye Name: methyl 4-[[2-(pentanoylamino)phenyl]methyl]benzoate; 2-sulfonylmorpholine CAS Name: 4-[[2-(1-oxopentylamino)phenyl]methyl]benzoic acid methyl ester; 2-sulfonylmorpholine IUPAC Name: methyl 4-[[2-(pentanoylamino)phenyl]methyl]benzoate; 2-sulfonylmorpholine Traditional Name: 2-sulfonylmorpholine; 4-[2-(valerylamino)benzyl]benzoic acid methyl ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=CC=C1CC2=CC=C(C=C2)C(=O)OC.C1COC(=S(=O)=O)CN1

Isomeric SMILES

CCCCC(=O)NC1=CC=CC=C1CC2=CC=C(C=C2)C(=O)OC.C1COC(=S(=O)=O)CN1

InChI

InChI=1S/C20H23NO3.C4H7NO3S/c1-3-4-9-19(22)21-18-8-6-5-7-17(18)14-15-10-12-16(13-11-15)20(23)24-2;6-9(7)4-3-5-1-2-8-4/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,21,22);5H,1-3H2