methyl 6-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(4-bromo-3-methyl-phenyl)sulfonylamino]hexanoate CAS Name: 6-[(4-bromo-3-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-bromo-3-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(4-bromo-3-methyl-phenyl)sulfonylamino]hexanoic acid methyl ester Formula: C14H20BrNO4S MolecularWeight: 378.2819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrNO4S/c1-11-10-12(7-8-13(11)15)21(18,19)16-9-5-3-4-6-14(17)20-2/h7-8,10,16H,3-6,9H2,1-2H3