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

Systemtic Name: methyl 5-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbonylamino]-2-chloranyl-benzoate Openeye Name: methyl 5-[[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]amino]-2-chloro-benzoate CAS Name: 5-[[[5-(1-azepanylsulfonyl)-2-chlorophenyl]-oxomethyl]amino]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-[[5-(azepan-1-ylsulfonyl)-2-chlorobenzoyl]amino]-2-chlorobenzoate Traditional Name: 5-[[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]amino]-2-chloro-benzoic acid methyl ester Formula: C21H22Cl2N2O5S MolecularWeight: 485.38078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N2O5S/c1-30-21(27)17-12-14(6-8-19(17)23)24-20(26)16-13-15(7-9-18(16)22)31(28,29)25-10-4-2-3-5-11-25/h6-9,12-13H,2-5,10-11H2,1H3,(H,24,26)