[2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-[(2-cyanobenzofuran-3-yl)amino]-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-[(2-cyano-3-benzofuranyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid [2-[(2-cyanobenzofuran-3-yl)amino]-2-keto-ethyl] ester Formula: C25H25N3O7S MolecularWeight: 511.5469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(OC3=CC=CC=C32)C#N)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(OC3=CC=CC=C32)C#N)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H25N3O7S/c1-33-20-11-10-17(14-22(20)36(31,32)28-12-6-2-3-7-13-28)25(30)34-16-23(29)27-24-18-8-4-5-9-19(18)35-21(24)15-26/h4-5,8-11,14H,2-3,6-7,12-13,16H2,1H3,(H,27,29)