5-(azepan-1-ylsulfonyl)-N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-methoxy-N',N'-dimethyl-benzohydrazide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-methoxy-N',N'-dimethyl-benzohydrazide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N',N'-dimethyl-benzohydrazide CAS Name: 5-(1-azepanylsulfonyl)-N-(1,1-dioxo-3-thiolanyl)-2-methoxy-N',N'-dimethylbenzohydrazide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N',N'-dimethylbenzohydrazide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(1,1-diketothiolan-3-yl)-2-methoxy-N',N'-dimethyl-benzohydrazide Formula: C20H31N3O6S2 MolecularWeight: 473.60664

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)N(C1CCS(=O)(=O)C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CN(C)N(C1CCS(=O)(=O)C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C20H31N3O6S2/c1-21(2)23(16-10-13-30(25,26)15-16)20(24)18-14-17(8-9-19(18)29-3)31(27,28)22-11-6-4-5-7-12-22/h8-9,14,16H,4-7,10-13,15H2,1-3H3