ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]amino]benzoate CAS Name: 4-[[[5-(1-azepanylsulfonyl)-2-chlorophenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-chlorobenzoyl]amino]benzoate Traditional Name: 4-[[5-(azepan-1-ylsulfonyl)-2-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=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

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

InChI

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