[2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl] 2,5-dimethylfuran-3-carboxylate

Systemtic Name: [2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl] 2,5-dimethylfuran-3-carboxylate Openeye Name: [2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-oxo-ethyl] 2,5-dimethylfuran-3-carboxylate CAS Name: 2,5-dimethyl-3-furancarboxylic acid [2-[5-(1-azepanylsulfonyl)-2-chloroanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate Traditional Name: 2,5-dimethylfuran-3-carboxylic acid [2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-keto-ethyl] ester Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C21H25ClN2O6S/c1-14-11-17(15(2)30-14)21(26)29-13-20(25)23-19-12-16(7-8-18(19)22)31(27,28)24-9-5-3-4-6-10-24/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,23,25)