ethyl 3-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]benzoate CAS Name: 3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]benzoate Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]benzoic acid ethyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H25ClN2O5S/c1-2-30-22(27)17-8-7-9-18(14-17)24-21(26)16-10-11-19(23)20(15-16)31(28,29)25-12-5-3-4-6-13-25/h7-11,14-15H,2-6,12-13H2,1H3,(H,24,26)