[3-(azepan-1-ylcarbonyl)-4-chloranyl-phenyl]sulfonyl-(4-methylsulfonylphenyl)azanide

Systemtic Name: [3-(azepan-1-ylcarbonyl)-4-chloranyl-phenyl]sulfonyl-(4-methylsulfonylphenyl)azanide Openeye Name: [3-(azepane-1-carbonyl)-4-chloro-phenyl]sulfonyl-(4-methylsulfonylphenyl)azanide CAS Name: [3-[1-azepanyl(oxo)methyl]-4-chlorophenyl]sulfonyl-(4-methylsulfonylphenyl)azanide IUPAC Name: [3-(azepane-1-carbonyl)-4-chlorophenyl]sulfonyl-(4-methylsulfonylphenyl)azanide Traditional Name: [3-(azepane-1-carbonyl)-4-chloro-phenyl]sulfonyl-(4-mesylphenyl)azanide Formula: C20H22ClN2O5S2- MolecularWeight: 469.98208

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H22ClN2O5S2/c1-29(25,26)16-8-6-15(7-9-16)22-30(27,28)17-10-11-19(21)18(14-17)20(24)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3/q-1