[1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylethylamino)ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-keto-1-methyl-2-(1-phenylethylamino)ethyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H30N2O5S/c1-18(20-11-6-5-7-12-20)25-23(27)19(2)31-24(28)21-13-10-14-22(17-21)32(29,30)26-15-8-3-4-9-16-26/h5-7,10-14,17-19H,3-4,8-9,15-16H2,1-2H3,(H,25,27)