[4-bromanylbutyl-(4-methylphenyl)sulfonyl-amino] benzoate

Systemtic Name: [4-bromanylbutyl-(4-methylphenyl)sulfonyl-amino] benzoate Openeye Name: [4-bromobutyl(p-tolylsulfonyl)amino] benzoate CAS Name: benzoic acid [4-bromobutyl-(4-methylphenyl)sulfonylamino] ester IUPAC Name: [4-bromobutyl-(4-methylphenyl)sulfonylamino] benzoate Traditional Name: benzoic acid [4-bromobutyl(tosyl)amino] ester Formula: C18H20BrNO4S MolecularWeight: 426.3247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCCBr)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCCBr)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H20BrNO4S/c1-15-9-11-17(12-10-15)25(22,23)20(14-6-5-13-19)24-18(21)16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-14H2,1H3