methyl 6-[[4-(phenylsulfonyl)piperazin-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(phenylsulfonyl)piperazin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-(benzenesulfonyl)piperazine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[4-(benzenesulfonyl)-1-piperazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(benzenesulfonyl)piperazine-1-carbothioyl]amino]hexanoate Traditional Name: 6-[(4-besylpiperazine-1-carbothioyl)amino]hexanoic acid methyl ester Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H27N3O4S2/c1-25-17(22)10-6-3-7-11-19-18(26)20-12-14-21(15-13-20)27(23,24)16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H,19,26)