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

Systemtic Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-3-chloranyl-benzoate Openeye Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-3-chloro-benzoate CAS Name: 4-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]-3-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]-3-chlorobenzoate Traditional Name: 4-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-3-chloro-benzoic acid ethyl ester Formula: C22H24Cl2N2O5S MolecularWeight: 499.40736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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