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

Systemtic Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbonylamino]-2-chloranyl-benzoate Openeye Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]amino]-2-chloro-benzoate CAS Name: 4-[[[5-(1-azepanylsulfonyl)-2-chlorophenyl]-oxomethyl]amino]-2-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-chlorobenzoyl]amino]-2-chlorobenzoate Traditional Name: 4-[[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]amino]-2-chloro-benzoic acid ethyl ester Formula: C22H24Cl2N2O5S MolecularWeight: 499.40736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24Cl2N2O5S/c1-2-31-22(28)17-9-7-15(13-20(17)24)25-21(27)18-14-16(8-10-19(18)23)32(29,30)26-11-5-3-4-6-12-26/h7-10,13-14H,2-6,11-12H2,1H3,(H,25,27)