[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H27N3O7S MolecularWeight: 453.50928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC=C)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC=C)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C20H27N3O7S/c1-3-10-21-20(26)22-18(24)14-30-19(25)15-8-9-16(29-2)17(13-15)31(27,28)23-11-6-4-5-7-12-23/h3,8-9,13H,1,4-7,10-12,14H2,2H3,(H2,21,22,24,26)