2-bromanylpropylcarbamoyl 4-methylbenzenesulfonate

Systemtic Name: 2-bromanylpropylcarbamoyl 4-methylbenzenesulfonate Openeye Name: 2-bromopropylcarbamoyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2-bromopropylamino)-oxomethyl] ester IUPAC Name: 2-bromopropylcarbamoyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-bromopropylcarbamoyl ester Formula: C11H14BrNO4S MolecularWeight: 336.20216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=O)NCC(C)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(=O)NCC(C)Br

InChI

InChI=1S/C11H14BrNO4S/c1-8-3-5-10(6-4-8)18(15,16)17-11(14)13-7-9(2)12/h3-6,9H,7H2,1-2H3,(H,13,14)