methyl 4-[2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 4-[2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[5-(1-azepanylsulfonyl)-2-chloroanilino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C22H25ClN2O6S MolecularWeight: 480.9617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C22H25ClN2O6S/c1-30-22(27)16-6-8-17(9-7-16)31-15-21(26)24-20-14-18(10-11-19(20)23)32(28,29)25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13,15H2,1H3,(H,24,26)