1-[4-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-(3,5-dichloro-2-hydroxy-phenyl)sulfonyl-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-(3,5-dichloro-2-hydroxy-phenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Formula: C13H16Cl2N2O4S MolecularWeight: 367.24814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC(=CC(=C2O)Cl)Cl

Isomeric SMILES

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC(=CC(=C2O)Cl)Cl

InChI

InChI=1S/C13H16Cl2N2O4S/c1-9(18)16-3-2-4-17(6-5-16)22(20,21)12-8-10(14)7-11(15)13(12)19/h7-8,19H,2-6H2,1H3