tert-butyl N-[1-cyclohexyl-6-methyl-3-oxidanyl-5-(oxidanylsulfonothioylmethyl)heptan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-cyclohexyl-6-methyl-3-oxidanyl-5-(oxidanylsulfonothioylmethyl)heptan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(cyclohexylmethyl)-2-hydroxy-4-(hydroxysulfonothioylmethyl)-5-methyl-hexyl]carbamate CAS Name: N-[1-cyclohexyl-3-hydroxy-5-(hydroxysulfonothioylmethyl)-6-methylheptan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-cyclohexyl-3-hydroxy-5-(hydroxysulfonothioylmethyl)-6-methylheptan-2-yl]carbamate Traditional Name: N-[1-(cyclohexylmethyl)-2-hydroxy-4-(hydroxysulfonothioylmethyl)-5-methyl-hexyl]carbamic acid tert-butyl ester Formula: C20H39NO5S2 MolecularWeight: 437.65736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C(CC1CCCCC1)NC(=O)OC(C)(C)C)O)CS(=O)(=S)O

Isomeric SMILES

CC(C)C(CC(C(CC1CCCCC1)NC(=O)OC(C)(C)C)O)CS(=O)(=S)O

InChI

InChI=1S/C20H39NO5S2/c1-14(2)16(13-28(24,25)27)12-18(22)17(11-15-9-7-6-8-10-15)21-19(23)26-20(3,4)5/h14-18,22H,6-13H2,1-5H3,(H,21,23)(H,24,25,27)