azepan-1-yl-[5-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfonyl-2-chloranyl-phenyl]methanone

Systemtic Name: azepan-1-yl-[5-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfonyl-2-chloranyl-phenyl]methanone Openeye Name: azepan-1-yl-[2-chloro-5-(1,1-dioxothiolan-3-yl)sulfonyl-phenyl]methanone CAS Name: 1-azepanyl-[2-chloro-5-[(1,1-dioxo-3-thiolanyl)sulfonyl]phenyl]methanone IUPAC Name: azepan-1-yl-[2-chloro-5-(1,1-dioxothiolan-3-yl)sulfonylphenyl]methanone Traditional Name: azepan-1-yl-[2-chloro-5-(1,1-diketothiolan-3-yl)sulfonyl-phenyl]methanone Formula: C17H22ClNO5S2 MolecularWeight: 419.94328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)C3CCS(=O)(=O)C3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)C3CCS(=O)(=O)C3)Cl

InChI

InChI=1S/C17H22ClNO5S2/c18-16-6-5-13(26(23,24)14-7-10-25(21,22)12-14)11-15(16)17(20)19-8-3-1-2-4-9-19/h5-6,11,14H,1-4,7-10,12H2