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155396-71-7 | Carbamic acid, N-[phenyl(phenylsulfonyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 155396-71-7 Catalog No: AG001NVS MDL No:
Product Description
Catalog Number:
AG001NVS
Chemical Name:
Carbamic acid, N-[phenyl(phenylsulfonyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
155396-71-7
Molecular Formula:
C18H21NO4S
Molecular Weight:
347.4286
IUPAC Name:
tert-butyl N-[benzenesulfonyl(phenyl)methyl]carbamate
InChI:
InChI=1S/C18H21NO4S/c1-18(2,3)23-17(20)19-16(14-10-6-4-7-11-14)24(21,22)15-12-8-5-9-13-15/h4-13,16H,1-3H3,(H,19,20)
InChI Key:
OUHZVJQYJUWAIE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(S(=O)(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.119g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.429g/mol
Monoisotopic Mass:
347.119g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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