(phenylmethyl) N-[3-[3-bromanylpropyl-(4-methylphenyl)sulfonyl-amino]propyl]carbamate

Systemtic Name: (phenylmethyl) N-[3-[3-bromanylpropyl-(4-methylphenyl)sulfonyl-amino]propyl]carbamate Openeye Name: benzyl N-[3-[3-bromopropyl(p-tolylsulfonyl)amino]propyl]carbamate CAS Name: N-[3-[3-bromopropyl-(4-methylphenyl)sulfonylamino]propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[3-bromopropyl-(4-methylphenyl)sulfonylamino]propyl]carbamate Traditional Name: N-[3-[3-bromopropyl(tosyl)amino]propyl]carbamic acid benzyl ester Formula: C21H27BrN2O4S MolecularWeight: 483.41908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCNC(=O)OCC2=CC=CC=C2)CCCBr

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCNC(=O)OCC2=CC=CC=C2)CCCBr

InChI

InChI=1S/C21H27BrN2O4S/c1-18-9-11-20(12-10-18)29(26,27)24(15-5-13-22)16-6-14-23-21(25)28-17-19-7-3-2-4-8-19/h2-4,7-12H,5-6,13-17H2,1H3,(H,23,25)