[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate

Systemtic Name: [2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate Openeye Name: [2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [2-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C20H21N3O7S MolecularWeight: 447.46164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H21N3O7S/c1-13-19(14(2)30-21-13)31(26,27)23-9-7-22(8-10-23)18(24)12-28-20(25)17-11-15-5-3-4-6-16(15)29-17/h3-6,11H,7-10,12H2,1-2H3