3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2,4,5-tris(chloranyl)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2,4,5-tris(chloranyl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2,4,5-trichlorophenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-(2,4,5-trichlorophenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2,4,5-trichlorophenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2,4,5-trichlorophenyl)benzamide Formula: C20H21Cl3N2O4S MolecularWeight: 491.81574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H21Cl3N2O4S/c1-29-18-7-6-13(20(26)24-17-12-15(22)14(21)11-16(17)23)10-19(18)30(27,28)25-8-4-2-3-5-9-25/h6-7,10-12H,2-5,8-9H2,1H3,(H,24,26)