[3-(4-tert-butylphenyl)-3-deuterio-propyl] sulfamate

Systemtic Name: [3-(4-tert-butylphenyl)-3-deuterio-propyl] sulfamate Openeye Name: [3-(4-tert-butylphenyl)-3-deuterio-propyl] sulfamate CAS Name: sulfamic acid [3-(4-tert-butylphenyl)-3-deuteriopropyl] ester IUPAC Name: [3-(4-tert-butylphenyl)-3-deuteriopropyl] sulfamate Traditional Name: sulfamic acid [3-(4-tert-butylphenyl)-3-deuterio-propyl] ester Formula: C13H21NO3S MolecularWeight: 272.381902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCCOS(=O)(=O)N

Isomeric SMILES

[2H]C(CCOS(=O)(=O)N)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C13H21NO3S/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-17-18(14,15)16/h6-9H,4-5,10H2,1-3H3,(H2,14,15,16)/i5D