benzenesulfonic acid; tert-butyl N-(1-oxidanyl-4-phenyl-butan-2-yl)carbamate

Systemtic Name: benzenesulfonic acid; tert-butyl N-(1-oxidanyl-4-phenyl-butan-2-yl)carbamate Openeye Name: benzenesulfonic acid; tert-butyl N-[1-(hydroxymethyl)-3-phenyl-propyl]carbamate CAS Name: benzenesulfonic acid; N-(1-hydroxy-4-phenylbutan-2-yl)carbamic acid tert-butyl ester IUPAC Name: benzenesulfonic acid; tert-butyl N-(1-hydroxy-4-phenylbutan-2-yl)carbamate Traditional Name: besylic acid; N-(1-methylol-3-phenyl-propyl)carbamic acid tert-butyl ester Formula: C21H29NO6S MolecularWeight: 423.52306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC1=CC=CC=C1)CO.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC1=CC=CC=C1)CO.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C15H23NO3.C6H6O3S/c1-15(2,3)19-14(18)16-13(11-17)10-9-12-7-5-4-6-8-12;7-10(8,9)6-4-2-1-3-5-6/h4-8,13,17H,9-11H2,1-3H3,(H,16,18);1-5H,(H,7,8,9)