[1-oxidanylidene-1-(propylamino)propan-2-yl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]propanoic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]propionic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCCNC(=O)C(C)OC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C21H32N2O5S/c1-3-14-22-21(25)17(2)28-20(24)13-10-18-8-11-19(12-9-18)29(26,27)23-15-6-4-5-7-16-23/h8-9,11-12,17H,3-7,10,13-16H2,1-2H3,(H,22,25)