N-[bis[(2-methyl-1-oxidanyl-propan-2-yl)amino]-sulfanyl-methyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[bis[(2-methyl-1-oxidanyl-propan-2-yl)amino]-sulfanyl-methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[bis[(2-hydroxy-1,1-dimethyl-ethyl)amino]-sulfanyl-methyl]-4-methyl-benzenesulfonamide CAS Name: N-[bis[(1-hydroxy-2-methylpropan-2-yl)amino]-mercaptomethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[bis[(1-hydroxy-2-methylpropan-2-yl)amino]-sulfanylmethyl]-4-methylbenzenesulfonamide Traditional Name: N-[bis[(2-hydroxy-1,1-dimethyl-ethyl)amino]-mercapto-methyl]-4-methyl-benzenesulfonamide Formula: C16H29N3O4S2 MolecularWeight: 391.54916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(NC(C)(C)CO)(NC(C)(C)CO)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(NC(C)(C)CO)(NC(C)(C)CO)S

InChI

InChI=1S/C16H29N3O4S2/c1-12-6-8-13(9-7-12)25(22,23)19-16(24,17-14(2,3)10-20)18-15(4,5)11-21/h6-9,17-21,24H,10-11H2,1-5H3